3-chloro-4-(1-methylimidazol-2-yl)sulfonylaniline

C10H10ClN3O2S — CID 141374502

IUPAC3-chloro-4-(1-methylimidazol-2-yl)sulfonylaniline
SMILESCn1ccnc1S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C10H10ClN3O2S/c1-14-5-4-13-10(14)17(15,16)9-3-2-7(12)6-8(9)11/h2-6H,12H2,1H3
InChIKeyCQLXMWFSEUYNDX-UHFFFAOYSA-N
MW271.73 g/mol
LogP1.49
Rot. Bonds2

About 3-chloro-4-(1-methylimidazol-2-yl)sulfonylaniline

3-chloro-4-(1-methylimidazol-2-yl)sulfonylaniline (PubChem CID 141374502) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is 3-chloro-4-(1-methylimidazol-2-yl)sulfonylaniline.

Molecular Properties

Compound Name3-chloro-4-(1-methylimidazol-2-yl)sulfonylaniline
PubChem CID141374502
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Name3-chloro-4-(1-methylimidazol-2-yl)sulfonylaniline
SMILESCn1ccnc1S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C10H10ClN3O2S/c1-14-5-4-13-10(14)17(15,16)9-3-2-7(12)6-8(9)11/h2-6H,12H2,1H3
InChIKeyCQLXMWFSEUYNDX-UHFFFAOYSA-N
XLogP1.49
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[3-(methylsulfanyl)phenyl]-1H-imidazole-4-sulfonamide
CID 20958612
N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]-1-methylimidazole-4-sulfonamide
CID 2812828
4-[(1-methyl-1H-imidazol-2-yl)thio]aniline
CID 609601
2-(2-Chloro-4-nitrophenyl)sulfanyl-1-methylimidazole
CID 885050
5-chloro-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]aniline
CID 15077495
4-(1-Methylimidazol-2-yl)sulfinylaniline;dihydrochloride
CID 45262972
N-(3-chlorophenyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 5048540
4-chloro-2-fluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
CID 16582026
N-(3-chloro-4-fluorophenyl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 22576663
N-(2-chloro-4-fluorophenyl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 22576664
N-(3-chloro-4-fluorophenyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 53007777
3-[(1Z,3E)-1-amino-2-chloro-4-(trifluoromethyl)hexa-1,3,5-trienyl]-N-(3-chlorophenyl)imidazole-4-sulfonamide
CID 89024426

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1-methylimidazol-2-yl)sulfonylaniline?
The IUPAC name of 3-chloro-4-(1-methylimidazol-2-yl)sulfonylaniline (CID 141374502) is 3-chloro-4-(1-methylimidazol-2-yl)sulfonylaniline.
What is the SMILES notation for 3-chloro-4-(1-methylimidazol-2-yl)sulfonylaniline?
The canonical SMILES for 3-chloro-4-(1-methylimidazol-2-yl)sulfonylaniline is Cn1ccnc1S(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 3-chloro-4-(1-methylimidazol-2-yl)sulfonylaniline?
The InChIKey is CQLXMWFSEUYNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c1-14-5-4-13-10(14)17(15,16)9-3-2-7(12)6-8(9)11/h2-6H,12H2,1H3.
What are the key properties of 3-chloro-4-(1-methylimidazol-2-yl)sulfonylaniline?
3-chloro-4-(1-methylimidazol-2-yl)sulfonylaniline has a molecular weight of 271.73 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1-methylimidazol-2-yl)sulfonylaniline is sourced from PubChem (CID 141374502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).