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

C17H22N2O3S — CID 20958811

IUPACN-cyclohexyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1ncc(-c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)o1
InChIInChI=1S/C17H22N2O3S/c1-13-18-12-17(22-13)14-8-10-16(11-9-14)23(20,21)19(2)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3
InChIKeyJKNFOJXPTUQOJO-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.60
Rot. Bonds4

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

N-cyclohexyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 20958811) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID20958811
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-cyclohexyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1ncc(-c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)o1
InChIInChI=1S/C17H22N2O3S/c1-13-18-12-17(22-13)14-8-10-16(11-9-14)23(20,21)19(2)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3
InChIKeyJKNFOJXPTUQOJO-UHFFFAOYSA-N
XLogP3.60
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 20958811) is N-cyclohexyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is Cc1ncc(-c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)o1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is JKNFOJXPTUQOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-13-18-12-17(22-13)14-8-10-16(11-9-14)23(20,21)19(2)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
N-cyclohexyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20958811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).