N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide

C19H16ClNO2S2 — CID 22202175

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClNO2S2/c1-14-6-12-17(13-7-14)25(22,23)21-18-4-2-3-5-19(18)24-16-10-8-15(20)9-11-16/h2-13,21H,1H3
InChIKeyGYIIJSRZPCJGRA-UHFFFAOYSA-N
MW389.93 g/mol
LogP5.60
Rot. Bonds5

About N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide

N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide (PubChem CID 22202175) has the molecular formula C19H16ClNO2S2 and a molecular weight of 389.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide
PubChem CID22202175
Molecular FormulaC19H16ClNO2S2
Molecular Weight389.93 g/mol
Exact Mass389.03
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClNO2S2/c1-14-6-12-17(13-7-14)25(22,23)21-18-4-2-3-5-19(18)24-16-10-8-15(20)9-11-16/h2-13,21H,1H3
InChIKeyGYIIJSRZPCJGRA-UHFFFAOYSA-N
XLogP5.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.93
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2211474
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide
CID 22202182
N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22202209
1-N-methyl-4-N-(2-phenylsulfanylphenyl)benzene-1,4-disulfonamide
CID 25331209
4-fluoro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2207449
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-[4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]acetamide
CID 2207163
4-cyano-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 4584042
4-chloro-N-[4-hydroxy-3-(4-methylphenyl)sulfanylnaphthalen-1-yl]-3-methylbenzenesulfonamide
CID 25040306
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide (CID 22202175) is N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide?
The InChIKey is GYIIJSRZPCJGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2S2/c1-14-6-12-17(13-7-14)25(22,23)21-18-4-2-3-5-19(18)24-16-10-8-15(20)9-11-16/h2-13,21H,1H3.
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide?
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide has a molecular weight of 389.93 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 22202175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).