5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide

C16H11ClN4O2S2 — CID 113037335

IUPAC5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)nc2)cc1
InChIInChI=1S/C16H11ClN4O2S2/c17-14-6-8-16(24-14)25(22,23)21-15-7-5-13(10-19-15)20-12-3-1-11(9-18)2-4-12/h1-8,10,20H,(H,19,21)
InChIKeyVIFSQJJGWHRSGC-UHFFFAOYSA-N
MW390.88 g/mol
LogP4.21
Rot. Bonds5

About 5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide

5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113037335) has the molecular formula C16H11ClN4O2S2 and a molecular weight of 390.88 g/mol. Its IUPAC name is 5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID113037335
Molecular FormulaC16H11ClN4O2S2
Molecular Weight390.88 g/mol
Exact Mass390.00
IUPAC Name5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)nc2)cc1
InChIInChI=1S/C16H11ClN4O2S2/c17-14-6-8-16(24-14)25(22,23)21-15-7-5-13(10-19-15)20-12-3-1-11(9-18)2-4-12/h1-8,10,20H,(H,19,21)
InChIKeyVIFSQJJGWHRSGC-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-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032155
3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide
CID 113037344
5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113022728
4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113037337
5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide
CID 112990005
5-cyano-N-(5-cyano-2-pyridinyl)thiophene-2-sulfonamide
CID 106266766
N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 6466988
N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide
CID 113037323
2,5-dichloro-N-(5-cyano-2-pyridinyl)thiophene-3-sulfonamide
CID 62355556
5-chloro-N-(5-phenyl-2-pyridinyl)thiophene-2-sulfonamide
CID 110634676
5-chloro-N-(3-chloro-5-cyanophenyl)thiophene-2-sulfonamide
CID 166326122

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide (CID 113037335) is 5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide is N#Cc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)nc2)cc1.
What is the InChIKey of 5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is VIFSQJJGWHRSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2S2/c17-14-6-8-16(24-14)25(22,23)21-15-7-5-13(10-19-15)20-12-3-1-11(9-18)2-4-12/h1-8,10,20H,(H,19,21).
What are the key properties of 5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide?
5-chloro-N-[5-(4-cyanoanilino)-2-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-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113037335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).