N-[(1R)-1-cycloheptylethyl]benzenesulfonamide

C15H23NO2S — CID 81393099

IUPACN-[(1R)-1-cycloheptylethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1)C1CCCCCC1
InChIInChI=1S/C15H23NO2S/c1-13(14-9-5-2-3-6-10-14)16-19(17,18)15-11-7-4-8-12-15/h4,7-8,11-14,16H,2-3,5-6,9-10H2,1H3/t13-/m1/s1
InChIKeyAYJPOGMBASIBQL-CYBMUJFWSA-N
MW281.42 g/mol
LogP3.32
Rot. Bonds4

About N-[(1R)-1-cycloheptylethyl]benzenesulfonamide

N-[(1R)-1-cycloheptylethyl]benzenesulfonamide (PubChem CID 81393099) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[(1R)-1-cycloheptylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-cycloheptylethyl]benzenesulfonamide
PubChem CID81393099
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[(1R)-1-cycloheptylethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1)C1CCCCCC1
InChIInChI=1S/C15H23NO2S/c1-13(14-9-5-2-3-6-10-14)16-19(17,18)15-11-7-4-8-12-15/h4,7-8,11-14,16H,2-3,5-6,9-10H2,1H3/t13-/m1/s1
InChIKeyAYJPOGMBASIBQL-CYBMUJFWSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide
CID 67266397
3-amino-N-(1-cyclohexylethyl)benzenesulfonamide
CID 62406253
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
2-(benzenesulfonamido)-2-cyclohexylacetic acid
CID 61015306
3-N-(1-cyclobutylethyl)benzene-1,3-disulfonamide
CID 115767059
N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide
CID 11393771
3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide
CID 106612198
N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106066113
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866
N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422097
N-(1-cyclohexylethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 62405456

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cycloheptylethyl]benzenesulfonamide?
The IUPAC name of N-[(1R)-1-cycloheptylethyl]benzenesulfonamide (CID 81393099) is N-[(1R)-1-cycloheptylethyl]benzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-cycloheptylethyl]benzenesulfonamide?
The canonical SMILES for N-[(1R)-1-cycloheptylethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccccc1)C1CCCCCC1.
What is the InChIKey of N-[(1R)-1-cycloheptylethyl]benzenesulfonamide?
The InChIKey is AYJPOGMBASIBQL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-13(14-9-5-2-3-6-10-14)16-19(17,18)15-11-7-4-8-12-15/h4,7-8,11-14,16H,2-3,5-6,9-10H2,1H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-cycloheptylethyl]benzenesulfonamide?
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide has a molecular weight of 281.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cycloheptylethyl]benzenesulfonamide is sourced from PubChem (CID 81393099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).