4-chloro-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-sulfonamide

C12H13ClN2O4S3 — CID 154848358

IUPAC4-chloro-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-sulfonamide
SMILESCNS(=O)(=O)c1cccc(CNS(=O)(=O)c2cscc2Cl)c1
InChIInChI=1S/C12H13ClN2O4S3/c1-14-21(16,17)10-4-2-3-9(5-10)6-15-22(18,19)12-8-20-7-11(12)13/h2-5,7-8,14-15H,6H2,1H3
InChIKeyZWBGRVJXYZBXTA-UHFFFAOYSA-N
MW380.90 g/mol
LogP1.79
Rot. Bonds6

About 4-chloro-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-sulfonamide

4-chloro-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-sulfonamide (PubChem CID 154848358) has the molecular formula C12H13ClN2O4S3 and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-chloro-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-sulfonamide
PubChem CID154848358
Molecular FormulaC12H13ClN2O4S3
Molecular Weight380.90 g/mol
Exact Mass379.97
IUPAC Name4-chloro-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-sulfonamide
SMILESCNS(=O)(=O)c1cccc(CNS(=O)(=O)c2cscc2Cl)c1
InChIInChI=1S/C12H13ClN2O4S3/c1-14-21(16,17)10-4-2-3-9(5-10)6-15-22(18,19)12-8-20-7-11(12)13/h2-5,7-8,14-15H,6H2,1H3
InChIKeyZWBGRVJXYZBXTA-UHFFFAOYSA-N
XLogP1.79
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106058600
3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688481
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688530
3-[(3-chloro-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 106816341
3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 134204060
3-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N-methylbenzenesulfonamide
CID 133436656
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
N-[(3-chlorophenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62533780
2-methyl-1-[[3-(methylsulfamoyl)phenyl]methyl]guanidine
CID 110915238
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide
CID 61018710
3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 43688458

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-sulfonamide?
The IUPAC name of 4-chloro-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-sulfonamide (CID 154848358) is 4-chloro-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 4-chloro-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-sulfonamide?
The canonical SMILES for 4-chloro-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-sulfonamide is CNS(=O)(=O)c1cccc(CNS(=O)(=O)c2cscc2Cl)c1.
What is the InChIKey of 4-chloro-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-sulfonamide?
The InChIKey is ZWBGRVJXYZBXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4S3/c1-14-21(16,17)10-4-2-3-9(5-10)6-15-22(18,19)12-8-20-7-11(12)13/h2-5,7-8,14-15H,6H2,1H3.
What are the key properties of 4-chloro-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-sulfonamide?
4-chloro-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-sulfonamide has a molecular weight of 380.90 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 154848358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).