2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide

C19H16Cl2N2O4S2 — CID 989106

IUPAC2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)c1
InChIInChI=1S/C19H16Cl2N2O4S2/c1-13-3-2-4-16(11-13)23-28(24,25)17-8-6-15(7-9-17)22-29(26,27)19-12-14(20)5-10-18(19)21/h2-12,22-23H,1H3
InChIKeyXATKCAAISXHLNN-UHFFFAOYSA-N
MW471.39 g/mol
LogP4.90
Rot. Bonds6

About 2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide

2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide (PubChem CID 989106) has the molecular formula C19H16Cl2N2O4S2 and a molecular weight of 471.39 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
PubChem CID989106
Molecular FormulaC19H16Cl2N2O4S2
Molecular Weight471.39 g/mol
Exact Mass469.99
IUPAC Name2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)c1
InChIInChI=1S/C19H16Cl2N2O4S2/c1-13-3-2-4-16(11-13)23-28(24,25)17-8-6-15(7-9-17)22-29(26,27)19-12-14(20)5-10-18(19)21/h2-12,22-23H,1H3
InChIKeyXATKCAAISXHLNN-UHFFFAOYSA-N
XLogP4.90
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.39
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3483233
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
CID 4830051
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415
N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 2947983
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide
CID 4199762
3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide
CID 1101032
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667
4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide
CID 143959278

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide (CID 989106) is 2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)c1.
What is the InChIKey of 2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
The InChIKey is XATKCAAISXHLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4S2/c1-13-3-2-4-16(11-13)23-28(24,25)17-8-6-15(7-9-17)22-29(26,27)19-12-14(20)5-10-18(19)21/h2-12,22-23H,1H3.
What are the key properties of 2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide has a molecular weight of 471.39 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 989106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).