5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide

C17H22ClN3O2S — CID 47027496

IUPAC5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2(c3ccccc3)CCCCC2)c1Cl
InChIInChI=1S/C17H22ClN3O2S/c1-21-13-19-16(15(21)18)24(22,23)20-12-17(10-6-3-7-11-17)14-8-4-2-5-9-14/h2,4-5,8-9,13,20H,3,6-7,10-12H2,1H3
InChIKeyCGSLUIWNISNXPE-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.25
Rot. Bonds5

About 5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide (PubChem CID 47027496) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide
PubChem CID47027496
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2(c3ccccc3)CCCCC2)c1Cl
InChIInChI=1S/C17H22ClN3O2S/c1-21-13-19-16(15(21)18)24(22,23)20-12-17(10-6-3-7-11-17)14-8-4-2-5-9-14/h2,4-5,8-9,13,20H,3,6-7,10-12H2,1H3
InChIKeyCGSLUIWNISNXPE-UHFFFAOYSA-N
XLogP3.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylimidazole-4-sulfonamide
CID 115359369
5-chloro-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]imidazole-4-sulfonamide
CID 103743754
N-[(1-phenylcyclopentyl)methyl]methanesulfonamide
CID 47016388
N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide
CID 113090928
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide
CID 110444598
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzenesulfonamide
CID 55477227
N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61247762
5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide
CID 92861335
3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 39628447
4-[(1-phenylcyclohexyl)methylsulfamoyl]benzamide
CID 46457755
5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
CID 43415294
N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61250573

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide (CID 47027496) is 5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC2(c3ccccc3)CCCCC2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide?
The InChIKey is CGSLUIWNISNXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S/c1-21-13-19-16(15(21)18)24(22,23)20-12-17(10-6-3-7-11-17)14-8-4-2-5-9-14/h2,4-5,8-9,13,20H,3,6-7,10-12H2,1H3.
What are the key properties of 5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide has a molecular weight of 367.90 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[(1-phenylcyclohexyl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 47027496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).