4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide

C18H14ClNO2S2 — CID 2211474

IUPAC4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Sc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClNO2S2/c19-14-10-12-16(13-11-14)24(21,22)20-17-8-4-5-9-18(17)23-15-6-2-1-3-7-15/h1-13,20H
InChIKeyQERMBGQKEWDPLS-UHFFFAOYSA-N
MW375.90 g/mol
LogP5.29
Rot. Bonds5

About 4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide

4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide (PubChem CID 2211474) has the molecular formula C18H14ClNO2S2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
PubChem CID2211474
Molecular FormulaC18H14ClNO2S2
Molecular Weight375.90 g/mol
Exact Mass375.02
IUPAC Name4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Sc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClNO2S2/c19-14-10-12-16(13-11-14)24(21,22)20-17-8-4-5-9-18(17)23-15-6-2-1-3-7-15/h1-13,20H
InChIKeyQERMBGQKEWDPLS-UHFFFAOYSA-N
XLogP5.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide
CID 22202175
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide
CID 22202182
1-N-methyl-4-N-(2-phenylsulfanylphenyl)benzene-1,4-disulfonamide
CID 25331209
4-fluoro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2207449
4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 4584042
N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide
CID 5025961
N-[4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]acetamide
CID 2207163
4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 22202239
N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22202209
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide
CID 18893032
4-fluoro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide
CID 18893521

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide (CID 2211474) is 4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1Sc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
The InChIKey is QERMBGQKEWDPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2S2/c19-14-10-12-16(13-11-14)24(21,22)20-17-8-4-5-9-18(17)23-15-6-2-1-3-7-15/h1-13,20H.
What are the key properties of 4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide has a molecular weight of 375.90 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 2211474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).