5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride

C10H13ClN4O2S — CID 54601102

IUPAC5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cnc(N)c1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C10H12N4O2S.ClH/c1-14-7-12-9(11)10(14)17(15,16)13-8-5-3-2-4-6-8;/h2-7,13H,11H2,1H3;1H
InChIKeyKSHAIPVUTPFERR-UHFFFAOYSA-N
MW288.76 g/mol
LogP1.22
Rot. Bonds3

About 5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride

5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride (PubChem CID 54601102) has the molecular formula C10H13ClN4O2S and a molecular weight of 288.76 g/mol. Its IUPAC name is 5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride
PubChem CID54601102
Molecular FormulaC10H13ClN4O2S
Molecular Weight288.76 g/mol
Exact Mass288.04
IUPAC Name5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cnc(N)c1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C10H12N4O2S.ClH/c1-14-7-12-9(11)10(14)17(15,16)13-8-5-3-2-4-6-8;/h2-7,13H,11H2,1H3;1H
InChIKeyKSHAIPVUTPFERR-UHFFFAOYSA-N
XLogP1.22
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide
CID 63980035
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5-amino-N-[3-(dimethylamino)-4-methylphenyl]-3-methylimidazole-4-sulfonamide
CID 115375981
5-amino-N-[2-(difluoromethylsulfanyl)phenyl]-3-methylimidazole-4-sulfonamide
CID 63977730
5-amino-N-(4-bromo-3-methoxyphenyl)-3-methylimidazole-4-sulfonamide
CID 82857389
5-amino-N-(3-bromo-2-methylphenyl)-3-methylimidazole-4-sulfonamide
CID 107624377
5-amino-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 63977546
5-amino-N-(5-chloro-2-fluorophenyl)-3-methylimidazole-4-sulfonamide
CID 63979821
5-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylimidazole-4-sulfonamide
CID 107624736
5-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylimidazole-4-sulfonamide
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5-amino-3-methyl-N-pentan-3-ylimidazole-4-sulfonamide
CID 63977514
2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetamide
CID 63977708

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride?
The IUPAC name of 5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride (CID 54601102) is 5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride is Cl.Cn1cnc(N)c1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride?
The InChIKey is KSHAIPVUTPFERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S.ClH/c1-14-7-12-9(11)10(14)17(15,16)13-8-5-3-2-4-6-8;/h2-7,13H,11H2,1H3;1H.
What are the key properties of 5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride?
5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride has a molecular weight of 288.76 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-N-phenylimidazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 54601102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).