3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide

C15H19BrN2O2S — CID 61124967

IUPAC3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide
SMILESN#CC1(NS(=O)(=O)c2cccc(Br)c2)CCCCCCC1
InChIInChI=1S/C15H19BrN2O2S/c16-13-7-6-8-14(11-13)21(19,20)18-15(12-17)9-4-2-1-3-5-10-15/h6-8,11,18H,1-5,9-10H2
InChIKeyDECPEMHPCDAQFY-UHFFFAOYSA-N
MW371.30 g/mol
LogP3.73
Rot. Bonds3

About 3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide

3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide (PubChem CID 61124967) has the molecular formula C15H19BrN2O2S and a molecular weight of 371.30 g/mol. Its IUPAC name is 3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide
PubChem CID61124967
Molecular FormulaC15H19BrN2O2S
Molecular Weight371.30 g/mol
Exact Mass370.04
IUPAC Name3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide
SMILESN#CC1(NS(=O)(=O)c2cccc(Br)c2)CCCCCCC1
InChIInChI=1S/C15H19BrN2O2S/c16-13-7-6-8-14(11-13)21(19,20)18-15(12-17)9-4-2-1-3-5-10-15/h6-8,11,18H,1-5,9-10H2
InChIKeyDECPEMHPCDAQFY-UHFFFAOYSA-N
XLogP3.73
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide
CID 61215705
3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634617
2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide
CID 60660791
N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride
CID 119980920
3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122167
N-(1-cyanocycloheptyl)thiophene-2-sulfonamide
CID 61123105
2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide
CID 60660817
5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide
CID 79987800
6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide
CID 114613786
N-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide
CID 61122968
N-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide
CID 75458356
4-bromo-N-(3-cyanothiolan-3-yl)-3-fluorobenzenesulfonamide
CID 113431194

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide (CID 61124967) is 3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide is N#CC1(NS(=O)(=O)c2cccc(Br)c2)CCCCCCC1.
What is the InChIKey of 3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide?
The InChIKey is DECPEMHPCDAQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2S/c16-13-7-6-8-14(11-13)21(19,20)18-15(12-17)9-4-2-1-3-5-10-15/h6-8,11,18H,1-5,9-10H2.
What are the key properties of 3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide?
3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide has a molecular weight of 371.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide is sourced from PubChem (CID 61124967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).