2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide

C19H15ClF2N2O4S2 — CID 24629196

IUPAC2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c(Cl)c1
InChIInChI=1S/C19H15ClF2N2O4S2/c1-12-2-9-19(16(20)10-12)30(27,28)24-14-5-3-13(4-6-14)23-29(25,26)15-7-8-17(21)18(22)11-15/h2-11,23-24H,1H3
InChIKeyXPBIYCCMIQNWHD-UHFFFAOYSA-N
MW472.92 g/mol
LogP4.53
Rot. Bonds6

About 2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide

2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide (PubChem CID 24629196) has the molecular formula C19H15ClF2N2O4S2 and a molecular weight of 472.92 g/mol. Its IUPAC name is 2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
PubChem CID24629196
Molecular FormulaC19H15ClF2N2O4S2
Molecular Weight472.92 g/mol
Exact Mass472.01
IUPAC Name2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c(Cl)c1
InChIInChI=1S/C19H15ClF2N2O4S2/c1-12-2-9-19(16(20)10-12)30(27,28)24-14-5-3-13(4-6-14)23-29(25,26)15-7-8-17(21)18(22)11-15/h2-11,23-24H,1H3
InChIKeyXPBIYCCMIQNWHD-UHFFFAOYSA-N
XLogP4.53
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.92
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629200
2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 32673670
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
CID 3702957
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide (CID 24629196) is 2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is XPBIYCCMIQNWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O4S2/c1-12-2-9-19(16(20)10-12)30(27,28)24-14-5-3-13(4-6-14)23-29(25,26)15-7-8-17(21)18(22)11-15/h2-11,23-24H,1H3.
What are the key properties of 2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide?
2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 472.92 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 24629196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).