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

C19H17N3O2S2 — CID 112990004

IUPACN-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(C#N)c3)cc2)s1
InChIInChI=1S/C19H17N3O2S2/c1-2-18-10-11-19(25-18)26(23,24)22-16-8-6-15(7-9-16)21-17-5-3-4-14(12-17)13-20/h3-12,21-22H,2H2,1H3
InChIKeyIPYLBEGRBRBHDC-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.73
Rot. Bonds6

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

N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 112990004) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide
PubChem CID112990004
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC NameN-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(C#N)c3)cc2)s1
InChIInChI=1S/C19H17N3O2S2/c1-2-18-10-11-19(25-18)26(23,24)22-16-8-6-15(7-9-16)21-17-5-3-4-14(12-17)13-20/h3-12,21-22H,2H2,1H3
InChIKeyIPYLBEGRBRBHDC-UHFFFAOYSA-N
XLogP4.73
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide
CID 47309319
5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide
CID 112990005
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide
CID 112989986
5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 47309123
N-[4-(3-cyanoanilino)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 112989997
N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide
CID 112989988
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
5-ethyl-N-[4-(2-methoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987399
N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide
CID 61454557
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide (CID 112990004) is N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(C#N)c3)cc2)s1.
What is the InChIKey of N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is IPYLBEGRBRBHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-2-18-10-11-19(25-18)26(23,24)22-16-8-6-15(7-9-16)21-17-5-3-4-14(12-17)13-20/h3-12,21-22H,2H2,1H3.
What are the key properties of N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide?
N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 383.50 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 112990004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).