5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide

C16H11ClN4O2S2 — CID 113022728

IUPAC5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESN#Cc1ccccc1Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cn1
InChIInChI=1S/C16H11ClN4O2S2/c17-14-6-8-16(24-14)25(22,23)21-12-5-7-15(19-10-12)20-13-4-2-1-3-11(13)9-18/h1-8,10,21H,(H,19,20)
InChIKeyXBDYILQBCIQBJP-UHFFFAOYSA-N
MW390.88 g/mol
LogP4.21
Rot. Bonds5

About 5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide

5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113022728) has the molecular formula C16H11ClN4O2S2 and a molecular weight of 390.88 g/mol. Its IUPAC name is 5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID113022728
Molecular FormulaC16H11ClN4O2S2
Molecular Weight390.88 g/mol
Exact Mass390.00
IUPAC Name5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESN#Cc1ccccc1Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cn1
InChIInChI=1S/C16H11ClN4O2S2/c17-14-6-8-16(24-14)25(22,23)21-12-5-7-15(19-10-12)20-13-4-2-1-3-11(13)9-18/h1-8,10,21H,(H,19,20)
InChIKeyXBDYILQBCIQBJP-UHFFFAOYSA-N
XLogP4.21
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[6-(4-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113022936
5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113037335
5-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113016834
N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113022734
5-chloro-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011631
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113018737
N-(6-amino-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 55025745
5-chloro-N-[6-(prop-2-enylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113009417
5-chloro-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113010420
5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032155
N-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113037114
5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide
CID 166188989

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide (CID 113022728) is 5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide is N#Cc1ccccc1Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cn1.
What is the InChIKey of 5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is XBDYILQBCIQBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2S2/c17-14-6-8-16(24-14)25(22,23)21-12-5-7-15(19-10-12)20-13-4-2-1-3-11(13)9-18/h1-8,10,21H,(H,19,20).
What are the key properties of 5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide?
5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 390.88 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113022728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).