5-chloro-N-[3-(dimethylsulfamoyl)phenyl]thiophene-2-sulfonamide

C12H13ClN2O4S3 — CID 5212946

IUPAC5-chloro-N-[3-(dimethylsulfamoyl)phenyl]thiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C12H13ClN2O4S3/c1-15(2)22(18,19)10-5-3-4-9(8-10)14-21(16,17)12-7-6-11(13)20-12/h3-8,14H,1-2H3
InChIKeyLHCSYMUVHQPYSO-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.45
Rot. Bonds5

About 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[3-(dimethylsulfamoyl)phenyl]thiophene-2-sulfonamide (PubChem CID 5212946) has the molecular formula C12H13ClN2O4S3 and a molecular weight of 380.90 g/mol. Its IUPAC name is 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(dimethylsulfamoyl)phenyl]thiophene-2-sulfonamide
PubChem CID5212946
Molecular FormulaC12H13ClN2O4S3
Molecular Weight380.90 g/mol
Exact Mass379.97
IUPAC Name5-chloro-N-[3-(dimethylsulfamoyl)phenyl]thiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C12H13ClN2O4S3/c1-15(2)22(18,19)10-5-3-4-9(8-10)14-21(16,17)12-7-6-11(13)20-12/h3-8,14H,1-2H3
InChIKeyLHCSYMUVHQPYSO-UHFFFAOYSA-N
XLogP2.45
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]thiophene-2-sulfonamide (CID 5212946) is 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]thiophene-2-sulfonamide is CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is LHCSYMUVHQPYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4S3/c1-15(2)22(18,19)10-5-3-4-9(8-10)14-21(16,17)12-7-6-11(13)20-12/h3-8,14H,1-2H3.
What are the key properties of 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 380.90 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 5212946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).