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

C15H20BrNO3S — CID 122588298

IUPACN-(4-bromo-3-cyclohexyloxyphenyl)cyclopropanesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(OC2CCCCC2)c1)C1CC1
InChIInChI=1S/C15H20BrNO3S/c16-14-9-6-11(17-21(18,19)13-7-8-13)10-15(14)20-12-4-2-1-3-5-12/h6,9-10,12-13,17H,1-5,7-8H2
InChIKeyUZZBHIHEZDQABU-UHFFFAOYSA-N
MW374.30 g/mol
LogP4.06
Rot. Bonds5

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

N-(4-bromo-3-cyclohexyloxyphenyl)cyclopropanesulfonamide (PubChem CID 122588298) has the molecular formula C15H20BrNO3S and a molecular weight of 374.30 g/mol. Its IUPAC name is N-(4-bromo-3-cyclohexyloxyphenyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-cyclohexyloxyphenyl)cyclopropanesulfonamide
PubChem CID122588298
Molecular FormulaC15H20BrNO3S
Molecular Weight374.30 g/mol
Exact Mass373.03
IUPAC NameN-(4-bromo-3-cyclohexyloxyphenyl)cyclopropanesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(OC2CCCCC2)c1)C1CC1
InChIInChI=1S/C15H20BrNO3S/c16-14-9-6-11(17-21(18,19)13-7-8-13)10-15(14)20-12-4-2-1-3-5-12/h6,9-10,12-13,17H,1-5,7-8H2
InChIKeyUZZBHIHEZDQABU-UHFFFAOYSA-N
XLogP4.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-cyclohexyloxyphenyl)cyclopropanesulfonamide?
The IUPAC name of N-(4-bromo-3-cyclohexyloxyphenyl)cyclopropanesulfonamide (CID 122588298) is N-(4-bromo-3-cyclohexyloxyphenyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(4-bromo-3-cyclohexyloxyphenyl)cyclopropanesulfonamide?
The canonical SMILES for N-(4-bromo-3-cyclohexyloxyphenyl)cyclopropanesulfonamide is O=S(=O)(Nc1ccc(Br)c(OC2CCCCC2)c1)C1CC1.
What is the InChIKey of N-(4-bromo-3-cyclohexyloxyphenyl)cyclopropanesulfonamide?
The InChIKey is UZZBHIHEZDQABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3S/c16-14-9-6-11(17-21(18,19)13-7-8-13)10-15(14)20-12-4-2-1-3-5-12/h6,9-10,12-13,17H,1-5,7-8H2.
What are the key properties of N-(4-bromo-3-cyclohexyloxyphenyl)cyclopropanesulfonamide?
N-(4-bromo-3-cyclohexyloxyphenyl)cyclopropanesulfonamide has a molecular weight of 374.30 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-cyclohexyloxyphenyl)cyclopropanesulfonamide is sourced from PubChem (CID 122588298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).