3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide

C10H12N4O2S — CID 63562930

IUPAC3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1N
InChIInChI=1S/C10H12N4O2S/c1-7-2-3-8(6-9(7)11)17(15,16)14-10-12-4-5-13-10/h2-6H,11H2,1H3,(H2,12,13,14)
InChIKeyFPQPSAANPWKZIM-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.10
Rot. Bonds3

About 3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide

3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide (PubChem CID 63562930) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide
PubChem CID63562930
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1N
InChIInChI=1S/C10H12N4O2S/c1-7-2-3-8(6-9(7)11)17(15,16)14-10-12-4-5-13-10/h2-6H,11H2,1H3,(H2,12,13,14)
InChIKeyFPQPSAANPWKZIM-UHFFFAOYSA-N
XLogP1.10
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 63562561
N-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide
CID 63564855
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide
CID 65491849
3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587481
5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide
CID 80645994
2-chloro-5-(1H-imidazol-2-ylsulfamoyl)benzoic acid
CID 55212179
4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 55212177
4-fluoro-N-(1H-imidazol-2-yl)-3-methyl-5-nitrobenzenesulfonamide
CID 115421974
5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 63565237
2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid
CID 107090081
5-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-yl)-2-methylbenzenesulfonamide
CID 63564512
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 83166969

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide (CID 63562930) is 3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1N.
What is the InChIKey of 3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is FPQPSAANPWKZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-7-2-3-8(6-9(7)11)17(15,16)14-10-12-4-5-13-10/h2-6H,11H2,1H3,(H2,12,13,14).
What are the key properties of 3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide?
3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 252.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 63562930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).