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

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Related Compounds

5-chloro-N-(2,2,4-trimethyl-1H-quinolin-6-yl)thiophene-2-sulfonamide
CID 59375183
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 110405797
5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide
CID 3659033
5-chloro-N-(1H-indazol-6-yl)thiophene-2-sulfonamide
CID 2444866
N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 22774672
5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 24580783
5-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)thiophene-2-sulfonamide
CID 16826884
N-(4-bromo-3-iodophenyl)-5-chlorothiophene-2-sulfonamide
CID 114259633
5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986155
5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide
CID 166200870
N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)thiophene-2-sulfonamide
CID 110405666
N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384518

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).