2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide

C14H12ClNO3S2 — CID 87732153

IUPAC2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide
SMILESO=C(CS)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClNO3S2/c15-12-3-1-2-4-14(12)21(18,19)16-11-7-5-10(6-8-11)13(17)9-20/h1-8,16,20H,9H2
InChIKeyHZFREMCDKZXYSS-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.25
Rot. Bonds5

About 2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide

2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide (PubChem CID 87732153) has the molecular formula C14H12ClNO3S2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide
PubChem CID87732153
Molecular FormulaC14H12ClNO3S2
Molecular Weight341.84 g/mol
Exact Mass340.99
IUPAC Name2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide
SMILESO=C(CS)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClNO3S2/c15-12-3-1-2-4-14(12)21(18,19)16-11-7-5-10(6-8-11)13(17)9-20/h1-8,16,20H,9H2
InChIKeyHZFREMCDKZXYSS-UHFFFAOYSA-N
XLogP3.25
TPSA63.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetate
CID 7042231
3-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide
CID 87731949
2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide
CID 65031108
N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965668
2-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 113098760
N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 60532816
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide
CID 110369728
2-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 45369229
N-[4-(2-sulfanylacetyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 11462996
2-chloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267887
N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide
CID 16623903
N-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide
CID 3864547

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide (CID 87732153) is 2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide is O=C(CS)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide?
The InChIKey is HZFREMCDKZXYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S2/c15-12-3-1-2-4-14(12)21(18,19)16-11-7-5-10(6-8-11)13(17)9-20/h1-8,16,20H,9H2.
What are the key properties of 2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide?
2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide has a molecular weight of 341.84 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 87732153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).