5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide

C14H13ClN2O3S2 — CID 110405814

IUPAC5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide
SMILESCC1(C)C(=O)Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc21
InChIInChI=1S/C14H13ClN2O3S2/c1-14(2)9-7-8(3-4-10(9)16-13(14)18)17-22(19,20)12-6-5-11(15)21-12/h3-7,17H,1-2H3,(H,16,18)
InChIKeyZRMSBNATNJPMGW-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.43
Rot. Bonds3

About 5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide

5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide (PubChem CID 110405814) has the molecular formula C14H13ClN2O3S2 and a molecular weight of 356.86 g/mol. Its IUPAC name is 5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide
PubChem CID110405814
Molecular FormulaC14H13ClN2O3S2
Molecular Weight356.86 g/mol
Exact Mass356.01
IUPAC Name5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide
SMILESCC1(C)C(=O)Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc21
InChIInChI=1S/C14H13ClN2O3S2/c1-14(2)9-7-8(3-4-10(9)16-13(14)18)17-22(19,20)12-6-5-11(15)21-12/h3-7,17H,1-2H3,(H,16,18)
InChIKeyZRMSBNATNJPMGW-UHFFFAOYSA-N
XLogP3.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide (CID 110405814) is 5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide is CC1(C)C(=O)Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc21.
What is the InChIKey of 5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide?
The InChIKey is ZRMSBNATNJPMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S2/c1-14(2)9-7-8(3-4-10(9)16-13(14)18)17-22(19,20)12-6-5-11(15)21-12/h3-7,17H,1-2H3,(H,16,18).
What are the key properties of 5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide?
5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide has a molecular weight of 356.86 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 110405814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).