N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide

C10H11ClN4O2S — CID 55068329

IUPACN-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C10H11ClN4O2S/c1-15-5-10(13-6-15)18(16,17)14-7-2-3-9(12)8(11)4-7/h2-6,14H,12H2,1H3
InChIKeyYYUGIPMMNPLLOV-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.46
Rot. Bonds3

About N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide

N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 55068329) has the molecular formula C10H11ClN4O2S and a molecular weight of 286.74 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide
PubChem CID55068329
Molecular FormulaC10H11ClN4O2S
Molecular Weight286.74 g/mol
Exact Mass286.03
IUPAC NameN-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C10H11ClN4O2S/c1-15-5-10(13-6-15)18(16,17)14-7-2-3-9(12)8(11)4-7/h2-6,14H,12H2,1H3
InChIKeyYYUGIPMMNPLLOV-UHFFFAOYSA-N
XLogP1.46
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.46
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

N-(4-amino-3-chlorophenyl)-1-ethylimidazole-4-sulfonamide
CID 79372959
N-(3-hydroxy-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 64794060
N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 46897919
N-(2-amino-1,3-benzoxazol-5-yl)-1-methylimidazole-4-sulfonamide
CID 141150963
1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
CID 46897915
N-(2-amino-4-bromophenyl)-1-methylimidazole-4-sulfonamide
CID 62374944
2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
CID 62375790
N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide
CID 103775515
N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 114296733
cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 153363584
N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 62373465
N-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide
CID 71927147

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide (CID 55068329) is N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(N)c(Cl)c2)c1.
What is the InChIKey of N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is YYUGIPMMNPLLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2S/c1-15-5-10(13-6-15)18(16,17)14-7-2-3-9(12)8(11)4-7/h2-6,14H,12H2,1H3.
What are the key properties of N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide?
N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 286.74 g/mol, XLogP of 1.46, 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-chlorophenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 55068329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).