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

C10H10ClN3O2S — CID 3650859

IUPACN-(4-chlorophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C10H10ClN3O2S/c1-14-6-10(12-7-14)17(15,16)13-9-4-2-8(11)3-5-9/h2-7,13H,1H3
InChIKeyXRNCXLANEQWJCC-UHFFFAOYSA-N
MW271.73 g/mol
LogP1.87
Rot. Bonds3

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

N-(4-chlorophenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 3650859) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-methylimidazole-4-sulfonamide
PubChem CID3650859
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC NameN-(4-chlorophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C10H10ClN3O2S/c1-14-6-10(12-7-14)17(15,16)13-9-4-2-8(11)3-5-9/h2-7,13H,1H3
InChIKeyXRNCXLANEQWJCC-UHFFFAOYSA-N
XLogP1.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-1-methylimidazole-4-sulfonamide (CID 3650859) is N-(4-chlorophenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is XRNCXLANEQWJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c1-14-6-10(12-7-14)17(15,16)13-9-4-2-8(11)3-5-9/h2-7,13H,1H3.
What are the key properties of N-(4-chlorophenyl)-1-methylimidazole-4-sulfonamide?
N-(4-chlorophenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 271.73 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 3650859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).