N-(4-benzylsulfanyl-2-chlorophenyl)-4-chlorobenzenesulfonamide

C19H15Cl2NO2S2 — CID 134124676

IUPACN-(4-benzylsulfanyl-2-chlorophenyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(SCc2ccccc2)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl2NO2S2/c20-15-6-9-17(10-7-15)26(23,24)22-19-11-8-16(12-18(19)21)25-13-14-4-2-1-3-5-14/h1-12,22H,13H2
InChIKeyFGPLANCYPVRFSM-UHFFFAOYSA-N
MW424.37 g/mol
LogP6.09
Rot. Bonds6

About N-(4-benzylsulfanyl-2-chlorophenyl)-4-chlorobenzenesulfonamide

N-(4-benzylsulfanyl-2-chlorophenyl)-4-chlorobenzenesulfonamide (PubChem CID 134124676) has the molecular formula C19H15Cl2NO2S2 and a molecular weight of 424.37 g/mol. Its IUPAC name is N-(4-benzylsulfanyl-2-chlorophenyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-benzylsulfanyl-2-chlorophenyl)-4-chlorobenzenesulfonamide
PubChem CID134124676
Molecular FormulaC19H15Cl2NO2S2
Molecular Weight424.37 g/mol
Exact Mass422.99
IUPAC NameN-(4-benzylsulfanyl-2-chlorophenyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(SCc2ccccc2)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl2NO2S2/c20-15-6-9-17(10-7-15)26(23,24)22-19-11-8-16(12-18(19)21)25-13-14-4-2-1-3-5-14/h1-12,22H,13H2
InChIKeyFGPLANCYPVRFSM-UHFFFAOYSA-N
XLogP6.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.37
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(benzenesulfonamido)-3-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
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N-[2-(4-chlorophenyl)sulfanylphenyl]-4-ethylbenzenesulfonamide
CID 22202182
N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
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4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
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4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide
CID 2796797
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
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N-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide
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3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-benzylsulfanyl-2-chlorophenyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(4-benzylsulfanyl-2-chlorophenyl)-4-chlorobenzenesulfonamide (CID 134124676) is N-(4-benzylsulfanyl-2-chlorophenyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(4-benzylsulfanyl-2-chlorophenyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(4-benzylsulfanyl-2-chlorophenyl)-4-chlorobenzenesulfonamide is O=S(=O)(Nc1ccc(SCc2ccccc2)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-benzylsulfanyl-2-chlorophenyl)-4-chlorobenzenesulfonamide?
The InChIKey is FGPLANCYPVRFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO2S2/c20-15-6-9-17(10-7-15)26(23,24)22-19-11-8-16(12-18(19)21)25-13-14-4-2-1-3-5-14/h1-12,22H,13H2.
What are the key properties of N-(4-benzylsulfanyl-2-chlorophenyl)-4-chlorobenzenesulfonamide?
N-(4-benzylsulfanyl-2-chlorophenyl)-4-chlorobenzenesulfonamide has a molecular weight of 424.37 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylsulfanyl-2-chlorophenyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 134124676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).