4-bromo-N-(4-ethylcyclohexyl)-3-fluoro-N-methylbenzenesulfonamide

C15H21BrFNO2S — CID 107650240

IUPAC4-bromo-N-(4-ethylcyclohexyl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C15H21BrFNO2S/c1-3-11-4-6-12(7-5-11)18(2)21(19,20)13-8-9-14(16)15(17)10-13/h8-12H,3-7H2,1-2H3
InChIKeyAZHDYRFTIKVJNE-UHFFFAOYSA-N
MW378.31 g/mol
LogP4.18
Rot. Bonds4

About 4-bromo-N-(4-ethylcyclohexyl)-3-fluoro-N-methylbenzenesulfonamide

4-bromo-N-(4-ethylcyclohexyl)-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 107650240) has the molecular formula C15H21BrFNO2S and a molecular weight of 378.31 g/mol. Its IUPAC name is 4-bromo-N-(4-ethylcyclohexyl)-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-ethylcyclohexyl)-3-fluoro-N-methylbenzenesulfonamide
PubChem CID107650240
Molecular FormulaC15H21BrFNO2S
Molecular Weight378.31 g/mol
Exact Mass377.05
IUPAC Name4-bromo-N-(4-ethylcyclohexyl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C15H21BrFNO2S/c1-3-11-4-6-12(7-5-11)18(2)21(19,20)13-8-9-14(16)15(17)10-13/h8-12H,3-7H2,1-2H3
InChIKeyAZHDYRFTIKVJNE-UHFFFAOYSA-N
XLogP4.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-ethylcyclohexyl)-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-ethylcyclohexyl)-3-fluoro-N-methylbenzenesulfonamide (CID 107650240) is 4-bromo-N-(4-ethylcyclohexyl)-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-ethylcyclohexyl)-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-ethylcyclohexyl)-3-fluoro-N-methylbenzenesulfonamide is CCC1CCC(N(C)S(=O)(=O)c2ccc(Br)c(F)c2)CC1.
What is the InChIKey of 4-bromo-N-(4-ethylcyclohexyl)-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is AZHDYRFTIKVJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO2S/c1-3-11-4-6-12(7-5-11)18(2)21(19,20)13-8-9-14(16)15(17)10-13/h8-12H,3-7H2,1-2H3.
What are the key properties of 4-bromo-N-(4-ethylcyclohexyl)-3-fluoro-N-methylbenzenesulfonamide?
4-bromo-N-(4-ethylcyclohexyl)-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 378.31 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-ethylcyclohexyl)-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 107650240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).