1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide

C11H12ClN3O2S — CID 110725753

IUPAC1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCc1ncc[nH]1
InChIInChI=1S/C11H12ClN3O2S/c12-10-3-1-9(2-4-10)8-18(16,17)15-7-11-13-5-6-14-11/h1-6,15H,7-8H2,(H,13,14)
InChIKeyOHYODVJYDCBUEL-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.68
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide

1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide (PubChem CID 110725753) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
PubChem CID110725753
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCc1ncc[nH]1
InChIInChI=1S/C11H12ClN3O2S/c12-10-3-1-9(2-4-10)8-18(16,17)15-7-11-13-5-6-14-11/h1-6,15H,7-8H2,(H,13,14)
InChIKeyOHYODVJYDCBUEL-UHFFFAOYSA-N
XLogP1.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide
CID 110738887
1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
CID 64530642
2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)ethanesulfonamide
CID 64518005
5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
CID 64529732
5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64606709
1-(4-chlorophenyl)-N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]methanesulfonamide
CID 22450062
1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide
CID 18891250
3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64532116
1-(4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110739044
4-amino-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64518015
1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide
CID 77091794
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780997

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide (CID 110725753) is 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)NCc1ncc[nH]1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide?
The InChIKey is OHYODVJYDCBUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c12-10-3-1-9(2-4-10)8-18(16,17)15-7-11-13-5-6-14-11/h1-6,15H,7-8H2,(H,13,14).
What are the key properties of 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide?
1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide has a molecular weight of 285.76 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 110725753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).