N-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide

C15H23BrN2O2S — CID 79117102

IUPACN-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide
SMILESCCCN(C1CCC(N)CC1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H23BrN2O2S/c1-2-11-18(13-9-7-12(17)8-10-13)21(19,20)15-6-4-3-5-14(15)16/h3-6,12-13H,2,7-11,17H2,1H3
InChIKeyZFVFIWQMXXZUMC-UHFFFAOYSA-N
MW375.33 g/mol
LogP3.12
Rot. Bonds5

About N-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide

N-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide (PubChem CID 79117102) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide
PubChem CID79117102
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC NameN-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide
SMILESCCCN(C1CCC(N)CC1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H23BrN2O2S/c1-2-11-18(13-9-7-12(17)8-10-13)21(19,20)15-6-4-3-5-14(15)16/h3-6,12-13H,2,7-11,17H2,1H3
InChIKeyZFVFIWQMXXZUMC-UHFFFAOYSA-N
XLogP3.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide (CID 79117102) is N-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide is CCCN(C1CCC(N)CC1)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of N-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide?
The InChIKey is ZFVFIWQMXXZUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-2-11-18(13-9-7-12(17)8-10-13)21(19,20)15-6-4-3-5-14(15)16/h3-6,12-13H,2,7-11,17H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide?
N-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide is sourced from PubChem (CID 79117102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).