N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-2-chloro-4-fluorobenzenesulfonamide;2-chloro-N-[3-chloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;2-chloro-N-[3,5-dichloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;bis(2-chloro-N-[3,5-dichloro-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide);difluoromethane

C100H62Cl13F7N10O12S15 — CID 91561141

IUPACN-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-2-chloro-4-fluorobenzenesulfonamide;2-chloro-N-[3-chloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;2-chloro-N-[3,5-dichloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;bis(2-chloro-N-[3,5-dichloro-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide);difluoromethane
SMILESCOc1ccc2sc(Sc3c(Cl)cc(NS(=O)(=O)c4ccc(F)cc4Cl)cc3Cl)nc2c1.COc1ccc2sc(Sc3ccc(NS(=O)(=O)c4ccc(F)cc4Cl)cc3Cl)nc2c1.Cc1ccc2sc(Sc3c(Cl)cc(NS(=O)(=O)c4ccc(F)cc4Cl)cc3Cl)nc2c1.Cc1ccc2sc(Sc3c(Cl)cc(NS(=O)(=O)c4ccc(F)cc4Cl)cc3Cl)nc2c1.FCF.O=S(=O)(Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C20H12Cl3FN2O3S3.2C20H12Cl3FN2O2S3.C20H13Cl2FN2O3S3.C19H11Cl2FN2O2S3.CH2F2/c1-29-12-3-4-17-16(9-12)25-20(30-17)31-19-14(22)7-11(8-15(19)23)26-32(27,28)18-5-2-10(24)6-13(18)21;2*1-10-2-4-17-16(6-10)25-20(29-17)30-19-14(22)8-12(9-15(19)23)26-31(27,28)18-5-3-11(24)7-13(18)21;1-28-13-4-6-18-16(10-13)24-20(30-18)29-17-5-3-12(9-14(17)21)25-31(26,27)19-7-2-11(23)8-15(19)22;20-13-10-12(24-29(25,26)18-8-5-11(22)9-14(18)21)6-7-16(13)27-19-23-15-3-1-2-4-17(15)28-19;2-1-3/h2-9,26H,1H3;2*2-9,26H,1H3;2-10,25H,1H3;1-10,24H;1H2
InChIKeyIWCWAAPDLMNFIS-UHFFFAOYSA-N
MW2670.53 g/mol
LogP36.95
Rot. Bonds27

About N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-2-chloro-4-fluorobenzenesulfonamide;2-chloro-N-[3-chloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;2-chloro-N-[3,5-dichloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;bis(2-chloro-N-[3,5-dichloro-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide);difluoromethane

N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-2-chloro-4-fluorobenzenesulfonamide;2-chloro-N-[3-chloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;2-chloro-N-[3,5-dichloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;bis(2-chloro-N-[3,5-dichloro-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide);difluoromethane (PubChem CID 91561141) has the molecular formula C100H62Cl13F7N10O12S15 and a molecular weight of 2670.53 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-2-chloro-4-fluorobenzenesulfonamide;2-chloro-N-[3-chloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;2-chloro-N-[3,5-dichloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;bis(2-chloro-N-[3,5-dichloro-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide);difluoromethane.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-2-chloro-4-fluorobenzenesulfonamide;2-chloro-N-[3-chloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;2-chloro-N-[3,5-dichloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;bis(2-chloro-N-[3,5-dichloro-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide);difluoromethane
PubChem CID91561141
Molecular FormulaC100H62Cl13F7N10O12S15
Molecular Weight2670.53 g/mol
Exact Mass2661.62
IUPAC NameN-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-2-chloro-4-fluorobenzenesulfonamide;2-chloro-N-[3-chloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;2-chloro-N-[3,5-dichloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;bis(2-chloro-N-[3,5-dichloro-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide);difluoromethane
SMILESCOc1ccc2sc(Sc3c(Cl)cc(NS(=O)(=O)c4ccc(F)cc4Cl)cc3Cl)nc2c1.COc1ccc2sc(Sc3ccc(NS(=O)(=O)c4ccc(F)cc4Cl)cc3Cl)nc2c1.Cc1ccc2sc(Sc3c(Cl)cc(NS(=O)(=O)c4ccc(F)cc4Cl)cc3Cl)nc2c1.Cc1ccc2sc(Sc3c(Cl)cc(NS(=O)(=O)c4ccc(F)cc4Cl)cc3Cl)nc2c1.FCF.O=S(=O)(Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C20H12Cl3FN2O3S3.2C20H12Cl3FN2O2S3.C20H13Cl2FN2O3S3.C19H11Cl2FN2O2S3.CH2F2/c1-29-12-3-4-17-16(9-12)25-20(30-17)31-19-14(22)7-11(8-15(19)23)26-32(27,28)18-5-2-10(24)6-13(18)21;2*1-10-2-4-17-16(6-10)25-20(29-17)30-19-14(22)8-12(9-15(19)23)26-31(27,28)18-5-3-11(24)7-13(18)21;1-28-13-4-6-18-16(10-13)24-20(30-18)29-17-5-3-12(9-14(17)21)25-31(26,27)19-7-2-11(23)8-15(19)22;20-13-10-12(24-29(25,26)18-8-5-11(22)9-14(18)21)6-7-16(13)27-19-23-15-3-1-2-4-17(15)28-19;2-1-3/h2-9,26H,1H3;2*2-9,26H,1H3;2-10,25H,1H3;1-10,24H;1H2
InChIKeyIWCWAAPDLMNFIS-UHFFFAOYSA-N
XLogP36.95
TPSA313.76 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds27
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002670.53
LogP ≤ 536.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-2-chloro-4-fluorobenzenesulfonamide;2-chloro-N-[3-chloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;2-chloro-N-[3,5-dichloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;bis(2-chloro-N-[3,5-dichloro-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide);difluoromethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-2-chloro-4-fluorobenzenesulfonamide;2-chloro-N-[3-chloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;2-chloro-N-[3,5-dichloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;bis(2-chloro-N-[3,5-dichloro-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide);difluoromethane?
The IUPAC name of N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-2-chloro-4-fluorobenzenesulfonamide;2-chloro-N-[3-chloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;2-chloro-N-[3,5-dichloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;bis(2-chloro-N-[3,5-dichloro-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide);difluoromethane (CID 91561141) is N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-2-chloro-4-fluorobenzenesulfonamide;2-chloro-N-[3-chloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;2-chloro-N-[3,5-dichloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;bis(2-chloro-N-[3,5-dichloro-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide);difluoromethane.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-2-chloro-4-fluorobenzenesulfonamide;2-chloro-N-[3-chloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;2-chloro-N-[3,5-dichloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;bis(2-chloro-N-[3,5-dichloro-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide);difluoromethane?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-2-chloro-4-fluorobenzenesulfonamide;2-chloro-N-[3-chloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;2-chloro-N-[3,5-dichloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;bis(2-chloro-N-[3,5-dichloro-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide);difluoromethane is COc1ccc2sc(Sc3c(Cl)cc(NS(=O)(=O)c4ccc(F)cc4Cl)cc3Cl)nc2c1.COc1ccc2sc(Sc3ccc(NS(=O)(=O)c4ccc(F)cc4Cl)cc3Cl)nc2c1.Cc1ccc2sc(Sc3c(Cl)cc(NS(=O)(=O)c4ccc(F)cc4Cl)cc3Cl)nc2c1.Cc1ccc2sc(Sc3c(Cl)cc(NS(=O)(=O)c4ccc(F)cc4Cl)cc3Cl)nc2c1.FCF.O=S(=O)(Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-2-chloro-4-fluorobenzenesulfonamide;2-chloro-N-[3-chloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;2-chloro-N-[3,5-dichloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;bis(2-chloro-N-[3,5-dichloro-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide);difluoromethane?
The InChIKey is IWCWAAPDLMNFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl3FN2O3S3.2C20H12Cl3FN2O2S3.C20H13Cl2FN2O3S3.C19H11Cl2FN2O2S3.CH2F2/c1-29-12-3-4-17-16(9-12)25-20(30-17)31-19-14(22)7-11(8-15(19)23)26-32(27,28)18-5-2-10(24)6-13(18)21;2*1-10-2-4-17-16(6-10)25-20(29-17)30-19-14(22)8-12(9-15(19)23)26-31(27,28)18-5-3-11(24)7-13(18)21;1-28-13-4-6-18-16(10-13)24-20(30-18)29-17-5-3-12(9-14(17)21)25-31(26,27)19-7-2-11(23)8-15(19)22;20-13-10-12(24-29(25,26)18-8-5-11(22)9-14(18)21)6-7-16(13)27-19-23-15-3-1-2-4-17(15)28-19;2-1-3/h2-9,26H,1H3;2*2-9,26H,1H3;2-10,25H,1H3;1-10,24H;1H2.
What are the key properties of N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-2-chloro-4-fluorobenzenesulfonamide;2-chloro-N-[3-chloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;2-chloro-N-[3,5-dichloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;bis(2-chloro-N-[3,5-dichloro-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide);difluoromethane?
N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-2-chloro-4-fluorobenzenesulfonamide;2-chloro-N-[3-chloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;2-chloro-N-[3,5-dichloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;bis(2-chloro-N-[3,5-dichloro-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide);difluoromethane has a molecular weight of 2670.53 g/mol, XLogP of 36.95, 27 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-2-chloro-4-fluorobenzenesulfonamide;2-chloro-N-[3-chloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;2-chloro-N-[3,5-dichloro-4-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide;bis(2-chloro-N-[3,5-dichloro-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-fluorobenzenesulfonamide);difluoromethane is sourced from PubChem (CID 91561141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).