5-chloro-N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)thiophene-2-sulfonamide

C15H10ClN3O3S2 — CID 68934113

IUPAC5-chloro-N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)thiophene-2-sulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2c2cc[nH]c12
InChIInChI=1S/C15H10ClN3O3S2/c16-12-3-4-13(23-12)24(21,22)19-8-1-2-11-10(7-8)9-5-6-17-14(9)15(20)18-11/h1-7,17,19H,(H,18,20)
InChIKeyPNEAPMBVGYIDTM-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.53
Rot. Bonds3

About 5-chloro-N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)thiophene-2-sulfonamide

5-chloro-N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)thiophene-2-sulfonamide (PubChem CID 68934113) has the molecular formula C15H10ClN3O3S2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 5-chloro-N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)thiophene-2-sulfonamide
PubChem CID68934113
Molecular FormulaC15H10ClN3O3S2
Molecular Weight379.85 g/mol
Exact Mass378.99
IUPAC Name5-chloro-N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)thiophene-2-sulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2c2cc[nH]c12
InChIInChI=1S/C15H10ClN3O3S2/c16-12-3-4-13(23-12)24(21,22)19-8-1-2-11-10(7-8)9-5-6-17-14(9)15(20)18-11/h1-7,17,19H,(H,18,20)
InChIKeyPNEAPMBVGYIDTM-UHFFFAOYSA-N
XLogP3.53
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide
CID 3659033
N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)naphthalene-2-sulfonamide
CID 68935733
4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride
CID 87717212
4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
CID 68937970
5-chloro-N-(1H-indazol-6-yl)thiophene-2-sulfonamide
CID 2444866
8-bromo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
CID 68934746
8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
CID 68936033
N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 22774672
N-(4-bromo-3-iodophenyl)-5-chlorothiophene-2-sulfonamide
CID 114259633
5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 5217515
N-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
CID 68939319
5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide
CID 110405814

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)thiophene-2-sulfonamide (CID 68934113) is 5-chloro-N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)thiophene-2-sulfonamide is O=c1[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2c2cc[nH]c12.
What is the InChIKey of 5-chloro-N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)thiophene-2-sulfonamide?
The InChIKey is PNEAPMBVGYIDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O3S2/c16-12-3-4-13(23-12)24(21,22)19-8-1-2-11-10(7-8)9-5-6-17-14(9)15(20)18-11/h1-7,17,19H,(H,18,20).
What are the key properties of 5-chloro-N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)thiophene-2-sulfonamide?
5-chloro-N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)thiophene-2-sulfonamide has a molecular weight of 379.85 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 68934113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).