5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide

C11H11ClN2O4S3 — CID 43242482

IUPAC5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H11ClN2O4S3/c12-8-1-4-10(5-2-8)21(17,18)14-7-9-3-6-11(19-9)20(13,15)16/h1-6,14H,7H2,(H2,13,15,16)
InChIKeyOPNYIEZEECGSTD-UHFFFAOYSA-N
MW366.87 g/mol
LogP1.53
Rot. Bonds5

About 5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide

5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide (PubChem CID 43242482) has the molecular formula C11H11ClN2O4S3 and a molecular weight of 366.87 g/mol. Its IUPAC name is 5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide
PubChem CID43242482
Molecular FormulaC11H11ClN2O4S3
Molecular Weight366.87 g/mol
Exact Mass365.96
IUPAC Name5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H11ClN2O4S3/c12-8-1-4-10(5-2-8)21(17,18)14-7-9-3-6-11(19-9)20(13,15)16/h1-6,14H,7H2,(H2,13,15,16)
InChIKeyOPNYIEZEECGSTD-UHFFFAOYSA-N
XLogP1.53
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide
CID 26947458
4-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 73167916
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide
CID 41248093
4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612294
3,5-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242455
5-[[(4-fluorophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581110
N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106023200
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757
4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide
CID 61127357
5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581157
5-bromo-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]triazole-4-sulfonamide
CID 106466786
3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 166189748

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide (CID 43242482) is 5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide?
The InChIKey is OPNYIEZEECGSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4S3/c12-8-1-4-10(5-2-8)21(17,18)14-7-9-3-6-11(19-9)20(13,15)16/h1-6,14H,7H2,(H2,13,15,16).
What are the key properties of 5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide?
5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide has a molecular weight of 366.87 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 43242482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).