3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide

C14H21NO3S — CID 97244901

IUPAC3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2O)c1
InChIInChI=1S/C14H21NO3S/c1-2-11-5-3-7-13(9-11)19(17,18)15-10-12-6-4-8-14(12)16/h3,5,7,9,12,14-16H,2,4,6,8,10H2,1H3/t12-,14-/m0/s1
InChIKeyKAKLOKXLKZKZGK-JSGCOSHPSA-N
MW283.39 g/mol
LogP1.69
Rot. Bonds5

About 3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide

3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide (PubChem CID 97244901) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide
PubChem CID97244901
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2O)c1
InChIInChI=1S/C14H21NO3S/c1-2-11-5-3-7-13(9-11)19(17,18)15-10-12-6-4-8-14(12)16/h3,5,7,9,12,14-16H,2,4,6,8,10H2,1H3/t12-,14-/m0/s1
InChIKeyKAKLOKXLKZKZGK-JSGCOSHPSA-N
XLogP1.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106546349
3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 97244870
N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015
3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
CID 97244846
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-ethylbenzenesulfonamide
CID 86804583
N-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 98853358
3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071571
2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913894
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301
N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide
CID 119990108
N-(cyclobutylmethyl)-3-hydroxybenzenesulfonamide
CID 81259195
1-cyclobutyl-2-[[3-(ethylsulfamoyl)phenyl]methyl]guanidine
CID 122098577

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide?
The IUPAC name of 3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide (CID 97244901) is 3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide is CCc1cccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2O)c1.
What is the InChIKey of 3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide?
The InChIKey is KAKLOKXLKZKZGK-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-2-11-5-3-7-13(9-11)19(17,18)15-10-12-6-4-8-14(12)16/h3,5,7,9,12,14-16H,2,4,6,8,10H2,1H3/t12-,14-/m0/s1.
What are the key properties of 3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide?
3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]benzenesulfonamide is sourced from PubChem (CID 97244901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).