N-[(1S)-1-cyclopentylethyl]benzenesulfonamide

C13H19NO2S — CID 81388674

IUPACN-[(1S)-1-cyclopentylethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C1CCCC1
InChIInChI=1S/C13H19NO2S/c1-11(12-7-5-6-8-12)14-17(15,16)13-9-3-2-4-10-13/h2-4,9-12,14H,5-8H2,1H3/t11-/m0/s1
InChIKeyIGGHYIQJQAYXDP-NSHDSACASA-N
MW253.37 g/mol
LogP2.54
Rot. Bonds4

About N-[(1S)-1-cyclopentylethyl]benzenesulfonamide

N-[(1S)-1-cyclopentylethyl]benzenesulfonamide (PubChem CID 81388674) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentylethyl]benzenesulfonamide
PubChem CID81388674
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-[(1S)-1-cyclopentylethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C1CCCC1
InChIInChI=1S/C13H19NO2S/c1-11(12-7-5-6-8-12)14-17(15,16)13-9-3-2-4-10-13/h2-4,9-12,14H,5-8H2,1H3/t11-/m0/s1
InChIKeyIGGHYIQJQAYXDP-NSHDSACASA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide
CID 67266397
3-amino-N-(1-cyclohexylethyl)benzenesulfonamide
CID 62406253
3-N-(1-cyclobutylethyl)benzene-1,3-disulfonamide
CID 115767059
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106066113
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866
2-(benzenesulfonamido)-2-cyclohexylacetic acid
CID 61015306
2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
CID 81389268
N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide
CID 11393771
2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid
CID 107090108
5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid
CID 103962627

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentylethyl]benzenesulfonamide?
The IUPAC name of N-[(1S)-1-cyclopentylethyl]benzenesulfonamide (CID 81388674) is N-[(1S)-1-cyclopentylethyl]benzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-cyclopentylethyl]benzenesulfonamide?
The canonical SMILES for N-[(1S)-1-cyclopentylethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccccc1)C1CCCC1.
What is the InChIKey of N-[(1S)-1-cyclopentylethyl]benzenesulfonamide?
The InChIKey is IGGHYIQJQAYXDP-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO2S/c1-11(12-7-5-6-8-12)14-17(15,16)13-9-3-2-4-10-13/h2-4,9-12,14H,5-8H2,1H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentylethyl]benzenesulfonamide?
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide has a molecular weight of 253.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentylethyl]benzenesulfonamide is sourced from PubChem (CID 81388674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).