N-[5-chloro-6-[(4,4-difluorocyclohexyl)oxymethyl]-1,2-benzoxazol-3-yl]methanesulfonamide

C15H17ClF2N2O4S — CID 86268767

IUPACN-[5-chloro-6-[(4,4-difluorocyclohexyl)oxymethyl]-1,2-benzoxazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1noc2cc(COC3CCC(F)(F)CC3)c(Cl)cc12
InChIInChI=1S/C15H17ClF2N2O4S/c1-25(21,22)20-14-11-7-12(16)9(6-13(11)24-19-14)8-23-10-2-4-15(17,18)5-3-10/h6-7,10H,2-5,8H2,1H3,(H,19,20)
InChIKeyOTJZHJCHJVZFKC-UHFFFAOYSA-N
MW394.83 g/mol
LogP3.95
Rot. Bonds5

About N-[5-chloro-6-[(4,4-difluorocyclohexyl)oxymethyl]-1,2-benzoxazol-3-yl]methanesulfonamide

N-[5-chloro-6-[(4,4-difluorocyclohexyl)oxymethyl]-1,2-benzoxazol-3-yl]methanesulfonamide (PubChem CID 86268767) has the molecular formula C15H17ClF2N2O4S and a molecular weight of 394.83 g/mol. Its IUPAC name is N-[5-chloro-6-[(4,4-difluorocyclohexyl)oxymethyl]-1,2-benzoxazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-6-[(4,4-difluorocyclohexyl)oxymethyl]-1,2-benzoxazol-3-yl]methanesulfonamide
PubChem CID86268767
Molecular FormulaC15H17ClF2N2O4S
Molecular Weight394.83 g/mol
Exact Mass394.06
IUPAC NameN-[5-chloro-6-[(4,4-difluorocyclohexyl)oxymethyl]-1,2-benzoxazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1noc2cc(COC3CCC(F)(F)CC3)c(Cl)cc12
InChIInChI=1S/C15H17ClF2N2O4S/c1-25(21,22)20-14-11-7-12(16)9(6-13(11)24-19-14)8-23-10-2-4-15(17,18)5-3-10/h6-7,10H,2-5,8H2,1H3,(H,19,20)
InChIKeyOTJZHJCHJVZFKC-UHFFFAOYSA-N
XLogP3.95
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-[(4,4-difluorocyclohexyl)oxymethyl]-1,2-benzoxazol-3-yl]methanesulfonamide?
The IUPAC name of N-[5-chloro-6-[(4,4-difluorocyclohexyl)oxymethyl]-1,2-benzoxazol-3-yl]methanesulfonamide (CID 86268767) is N-[5-chloro-6-[(4,4-difluorocyclohexyl)oxymethyl]-1,2-benzoxazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[5-chloro-6-[(4,4-difluorocyclohexyl)oxymethyl]-1,2-benzoxazol-3-yl]methanesulfonamide?
The canonical SMILES for N-[5-chloro-6-[(4,4-difluorocyclohexyl)oxymethyl]-1,2-benzoxazol-3-yl]methanesulfonamide is CS(=O)(=O)Nc1noc2cc(COC3CCC(F)(F)CC3)c(Cl)cc12.
What is the InChIKey of N-[5-chloro-6-[(4,4-difluorocyclohexyl)oxymethyl]-1,2-benzoxazol-3-yl]methanesulfonamide?
The InChIKey is OTJZHJCHJVZFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N2O4S/c1-25(21,22)20-14-11-7-12(16)9(6-13(11)24-19-14)8-23-10-2-4-15(17,18)5-3-10/h6-7,10H,2-5,8H2,1H3,(H,19,20).
What are the key properties of N-[5-chloro-6-[(4,4-difluorocyclohexyl)oxymethyl]-1,2-benzoxazol-3-yl]methanesulfonamide?
N-[5-chloro-6-[(4,4-difluorocyclohexyl)oxymethyl]-1,2-benzoxazol-3-yl]methanesulfonamide has a molecular weight of 394.83 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-[(4,4-difluorocyclohexyl)oxymethyl]-1,2-benzoxazol-3-yl]methanesulfonamide is sourced from PubChem (CID 86268767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).