N-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

C17H22N2O3S — CID 20917435

IUPACN-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2)on1
InChIInChI=1S/C17H22N2O3S/c1-12-3-7-15(8-4-12)19-23(20,21)16-9-5-14(6-10-16)17-11-13(2)18-22-17/h5-6,9-12,15,19H,3-4,7-8H2,1-2H3
InChIKeyLMDIDBVZCLQHMN-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.51
Rot. Bonds4

About N-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

N-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 20917435) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID20917435
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2)on1
InChIInChI=1S/C17H22N2O3S/c1-12-3-7-15(8-4-12)19-23(20,21)16-9-5-14(6-10-16)17-11-13(2)18-22-17/h5-6,9-12,15,19H,3-4,7-8H2,1-2H3
InChIKeyLMDIDBVZCLQHMN-UHFFFAOYSA-N
XLogP3.51
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936500
4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20917434
3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole
CID 116868966
N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 46393013
4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 16787126
N-[4-(cyclohexylsulfamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911307
4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20917438
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 114547826
4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide
CID 82843999
N-cyclooctyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057188
N-cycloheptyl-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057186

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 20917435) is N-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1cc(-c2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2)on1.
What is the InChIKey of N-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is LMDIDBVZCLQHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-12-3-7-15(8-4-12)19-23(20,21)16-9-5-14(6-10-16)17-11-13(2)18-22-17/h5-6,9-12,15,19H,3-4,7-8H2,1-2H3.
What are the key properties of N-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
N-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20917435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).