N-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide

C13H18BrNO3S — CID 139341514

IUPACN-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OC2CCCCC2)c(Br)c1
InChIInChI=1S/C13H18BrNO3S/c1-19(16,17)15-10-7-8-13(12(14)9-10)18-11-5-3-2-4-6-11/h7-9,11,15H,2-6H2,1H3
InChIKeyHIRBVOYSNZBMHQ-UHFFFAOYSA-N
MW348.26 g/mol
LogP3.53
Rot. Bonds4

About N-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide

N-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide (PubChem CID 139341514) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is N-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide
PubChem CID139341514
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC NameN-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OC2CCCCC2)c(Br)c1
InChIInChI=1S/C13H18BrNO3S/c1-19(16,17)15-10-7-8-13(12(14)9-10)18-11-5-3-2-4-6-11/h7-9,11,15H,2-6H2,1H3
InChIKeyHIRBVOYSNZBMHQ-UHFFFAOYSA-N
XLogP3.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide?
The IUPAC name of N-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide (CID 139341514) is N-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide?
The canonical SMILES for N-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide is CS(=O)(=O)Nc1ccc(OC2CCCCC2)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide?
The InChIKey is HIRBVOYSNZBMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c1-19(16,17)15-10-7-8-13(12(14)9-10)18-11-5-3-2-4-6-11/h7-9,11,15H,2-6H2,1H3.
What are the key properties of N-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide?
N-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide has a molecular weight of 348.26 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide is sourced from PubChem (CID 139341514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).