N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide

C15H20N2O3S — CID 141414499

IUPACN-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide
SMILESCc1cc2onc(C)c2cc1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H20N2O3S/c1-10-8-15-13(11(2)16-20-15)9-14(10)17-21(18,19)12-6-4-3-5-7-12/h8-9,12,17H,3-7H2,1-2H3
InChIKeyNFQAUCSWFFRJLI-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.52
Rot. Bonds3

About N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide

N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide (PubChem CID 141414499) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide
PubChem CID141414499
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide
SMILESCc1cc2onc(C)c2cc1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H20N2O3S/c1-10-8-15-13(11(2)16-20-15)9-14(10)17-21(18,19)12-6-4-3-5-7-12/h8-9,12,17H,3-7H2,1-2H3
InChIKeyNFQAUCSWFFRJLI-UHFFFAOYSA-N
XLogP3.52
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide?
The IUPAC name of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide (CID 141414499) is N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide.
What is the SMILES notation for N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide?
The canonical SMILES for N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide is Cc1cc2onc(C)c2cc1NS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide?
The InChIKey is NFQAUCSWFFRJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10-8-15-13(11(2)16-20-15)9-14(10)17-21(18,19)12-6-4-3-5-7-12/h8-9,12,17H,3-7H2,1-2H3.
What are the key properties of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide?
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide is sourced from PubChem (CID 141414499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).