5-chloro-1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]imidazole-4-sulfonamide

C15H26ClN3O2S — CID 35383535

IUPAC5-chloro-1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]imidazole-4-sulfonamide
SMILESCCC(C)(C)C1CCC(NS(=O)(=O)c2ncn(C)c2Cl)CC1
InChIInChI=1S/C15H26ClN3O2S/c1-5-15(2,3)11-6-8-12(9-7-11)18-22(20,21)14-13(16)19(4)10-17-14/h10-12,18H,5-9H2,1-4H3
InChIKeyYOSZTECBFPJVRR-UHFFFAOYSA-N
MW347.91 g/mol
LogP3.35
Rot. Bonds5

About 5-chloro-1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]imidazole-4-sulfonamide (PubChem CID 35383535) has the molecular formula C15H26ClN3O2S and a molecular weight of 347.91 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]imidazole-4-sulfonamide
PubChem CID35383535
Molecular FormulaC15H26ClN3O2S
Molecular Weight347.91 g/mol
Exact Mass347.14
IUPAC Name5-chloro-1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]imidazole-4-sulfonamide
SMILESCCC(C)(C)C1CCC(NS(=O)(=O)c2ncn(C)c2Cl)CC1
InChIInChI=1S/C15H26ClN3O2S/c1-5-15(2,3)11-6-8-12(9-7-11)18-22(20,21)14-13(16)19(4)10-17-14/h10-12,18H,5-9H2,1-4H3
InChIKeyYOSZTECBFPJVRR-UHFFFAOYSA-N
XLogP3.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.91
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]imidazole-4-sulfonamide (CID 35383535) is 5-chloro-1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]imidazole-4-sulfonamide is CCC(C)(C)C1CCC(NS(=O)(=O)c2ncn(C)c2Cl)CC1.
What is the InChIKey of 5-chloro-1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]imidazole-4-sulfonamide?
The InChIKey is YOSZTECBFPJVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O2S/c1-5-15(2,3)11-6-8-12(9-7-11)18-22(20,21)14-13(16)19(4)10-17-14/h10-12,18H,5-9H2,1-4H3.
What are the key properties of 5-chloro-1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]imidazole-4-sulfonamide has a molecular weight of 347.91 g/mol, XLogP of 3.35, 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-[4-(2-methylbutan-2-yl)cyclohexyl]imidazole-4-sulfonamide is sourced from PubChem (CID 35383535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).