3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride

C10H9Cl2N3O4S2 — CID 62375451

IUPAC3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride
SMILESCn1cnc(S(=O)(=O)Nc2ccc(S(=O)(=O)Cl)cc2Cl)c1
InChIInChI=1S/C10H9Cl2N3O4S2/c1-15-5-10(13-6-15)21(18,19)14-9-3-2-7(4-8(9)11)20(12,16)17/h2-6,14H,1H3
InChIKeyOUZOZFICBWRTQD-UHFFFAOYSA-N
MW370.24 g/mol
LogP1.80
Rot. Bonds4

About 3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride

3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride (PubChem CID 62375451) has the molecular formula C10H9Cl2N3O4S2 and a molecular weight of 370.24 g/mol. Its IUPAC name is 3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride
PubChem CID62375451
Molecular FormulaC10H9Cl2N3O4S2
Molecular Weight370.24 g/mol
Exact Mass368.94
IUPAC Name3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride
SMILESCn1cnc(S(=O)(=O)Nc2ccc(S(=O)(=O)Cl)cc2Cl)c1
InChIInChI=1S/C10H9Cl2N3O4S2/c1-15-5-10(13-6-15)21(18,19)14-9-3-2-7(4-8(9)11)20(12,16)17/h2-6,14H,1H3
InChIKeyOUZOZFICBWRTQD-UHFFFAOYSA-N
XLogP1.80
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide
CID 103763973
N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 62375279
N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
CID 71927149
N-(2-amino-4-bromophenyl)-1-methylimidazole-4-sulfonamide
CID 62374944
N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide
CID 55068329
N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 62374272
N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 55068186
N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 103580545
N-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide
CID 106831921
2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814330
1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide
CID 55068374
N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide
CID 62373444

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride?
The IUPAC name of 3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride (CID 62375451) is 3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride is Cn1cnc(S(=O)(=O)Nc2ccc(S(=O)(=O)Cl)cc2Cl)c1.
What is the InChIKey of 3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride?
The InChIKey is OUZOZFICBWRTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O4S2/c1-15-5-10(13-6-15)21(18,19)14-9-3-2-7(4-8(9)11)20(12,16)17/h2-6,14H,1H3.
What are the key properties of 3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride?
3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride has a molecular weight of 370.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride is sourced from PubChem (CID 62375451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).