N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide

C12H11N3O2S2 — CID 106265196

IUPACN-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C#N)s2)ccc1N
InChIInChI=1S/C12H11N3O2S2/c1-8-6-9(2-4-11(8)14)15-19(16,17)12-5-3-10(7-13)18-12/h2-6,15H,14H2,1H3
InChIKeyHVSVWOGACFOCDA-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.31
Rot. Bonds3

About N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide

N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide (PubChem CID 106265196) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide
PubChem CID106265196
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC NameN-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C#N)s2)ccc1N
InChIInChI=1S/C12H11N3O2S2/c1-8-6-9(2-4-11(8)14)15-19(16,17)12-5-3-10(7-13)18-12/h2-6,15H,14H2,1H3
InChIKeyHVSVWOGACFOCDA-UHFFFAOYSA-N
XLogP2.31
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide
CID 114189417
N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022
5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106269600
5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106266948
N-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106265286
N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267208
N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106272309
N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106265104
5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 106269563
5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
CID 106272386
3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid
CID 106265350
5-cyano-N-quinolin-6-ylthiophene-2-sulfonamide
CID 106268086

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide?
The IUPAC name of N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide (CID 106265196) is N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc(C#N)s2)ccc1N.
What is the InChIKey of N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide?
The InChIKey is HVSVWOGACFOCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c1-8-6-9(2-4-11(8)14)15-19(16,17)12-5-3-10(7-13)18-12/h2-6,15H,14H2,1H3.
What are the key properties of N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide?
N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide has a molecular weight of 293.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide is sourced from PubChem (CID 106265196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).