5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide

C17H12ClN3O2S2 — CID 112990005

IUPAC5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide
SMILESN#Cc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)c1
InChIInChI=1S/C17H12ClN3O2S2/c18-16-8-9-17(24-16)25(22,23)21-14-6-4-13(5-7-14)20-15-3-1-2-12(10-15)11-19/h1-10,20-21H
InChIKeySINTUIYRJQQESL-UHFFFAOYSA-N
MW389.89 g/mol
LogP4.82
Rot. Bonds5

About 5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide (PubChem CID 112990005) has the molecular formula C17H12ClN3O2S2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide
PubChem CID112990005
Molecular FormulaC17H12ClN3O2S2
Molecular Weight389.89 g/mol
Exact Mass389.01
IUPAC Name5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide
SMILESN#Cc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)c1
InChIInChI=1S/C17H12ClN3O2S2/c18-16-8-9-17(24-16)25(22,23)21-14-6-4-13(5-7-14)20-15-3-1-2-12(10-15)11-19/h1-10,20-21H
InChIKeySINTUIYRJQQESL-UHFFFAOYSA-N
XLogP4.82
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide
CID 112990004
5-chloro-N-(3-chloro-5-cyanophenyl)thiophene-2-sulfonamide
CID 166326122
5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987490
N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide
CID 112989986
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
N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide
CID 112989988
N-[4-(3-cyanoanilino)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 112989997
2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide
CID 26979574
N-(3-cyanophenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111985
N-(4-bromo-3-iodophenyl)-5-chlorothiophene-2-sulfonamide
CID 114259633
5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113022728

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide (CID 112990005) is 5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide is N#Cc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)c1.
What is the InChIKey of 5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide?
The InChIKey is SINTUIYRJQQESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2S2/c18-16-8-9-17(24-16)25(22,23)21-14-6-4-13(5-7-14)20-15-3-1-2-12(10-15)11-19/h1-10,20-21H.
What are the key properties of 5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide has a molecular weight of 389.89 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112990005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).