4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide

C16H24BrNO3S — CID 16645075

IUPAC4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide
SMILESCCCOc1cc(S(=O)(=O)NC2CCCCC2C)ccc1Br
InChIInChI=1S/C16H24BrNO3S/c1-3-10-21-16-11-13(8-9-14(16)17)22(19,20)18-15-7-5-4-6-12(15)2/h8-9,11-12,15,18H,3-7,10H2,1-2H3
InChIKeyMVEHQXQUFLLEMW-UHFFFAOYSA-N
MW390.34 g/mol
LogP4.09
Rot. Bonds6

About 4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide

4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide (PubChem CID 16645075) has the molecular formula C16H24BrNO3S and a molecular weight of 390.34 g/mol. Its IUPAC name is 4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide
PubChem CID16645075
Molecular FormulaC16H24BrNO3S
Molecular Weight390.34 g/mol
Exact Mass389.07
IUPAC Name4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide
SMILESCCCOc1cc(S(=O)(=O)NC2CCCCC2C)ccc1Br
InChIInChI=1S/C16H24BrNO3S/c1-3-10-21-16-11-13(8-9-14(16)17)22(19,20)18-15-7-5-4-6-12(15)2/h8-9,11-12,15,18H,3-7,10H2,1-2H3
InChIKeyMVEHQXQUFLLEMW-UHFFFAOYSA-N
XLogP4.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide
CID 95864987
3-butoxy-4-chloro-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 35202724
3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 50876225
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7389210
5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide
CID 124680601
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
4-bromo-3-propoxybenzenesulfonyl chloride
CID 50876046
3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064265
N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
CID 35202091
4-[(4-bromo-3-propoxyphenyl)sulfonylamino]benzoic acid
CID 16645073
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide (CID 16645075) is 4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide is CCCOc1cc(S(=O)(=O)NC2CCCCC2C)ccc1Br.
What is the InChIKey of 4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide?
The InChIKey is MVEHQXQUFLLEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3S/c1-3-10-21-16-11-13(8-9-14(16)17)22(19,20)18-15-7-5-4-6-12(15)2/h8-9,11-12,15,18H,3-7,10H2,1-2H3.
What are the key properties of 4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide?
4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide has a molecular weight of 390.34 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide is sourced from PubChem (CID 16645075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).