N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide

C14H22N2O3S — CID 106128063

IUPACN-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC2CCC(O)C2)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-16-20(18,19)14-7-4-12(5-8-14)15-10-11-3-6-13(17)9-11/h4-5,7-8,11,13,15-17H,2-3,6,9-10H2,1H3
InChIKeyOWXAXZKYXFHRKG-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.56
Rot. Bonds6

About N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide

N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide (PubChem CID 106128063) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide
PubChem CID106128063
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC2CCC(O)C2)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-16-20(18,19)14-7-4-12(5-8-14)15-10-11-3-6-13(17)9-11/h4-5,7-8,11,13,15-17H,2-3,6,9-10H2,1H3
InChIKeyOWXAXZKYXFHRKG-UHFFFAOYSA-N
XLogP1.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
N-[4-[(3-hydroxycyclopentyl)methylsulfamoyl]phenyl]acetamide
CID 103270149
3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol
CID 103269700
N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide
CID 107131760
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol
CID 106130891
3-[(4-ethylsulfonylanilino)methyl]cyclobutan-1-ol
CID 66006142
N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
CID 79360115
N-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide
CID 82836544
4-(2-cyclohexylethylamino)-N-ethylbenzenesulfonamide
CID 60920186
4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270235

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide (CID 106128063) is N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(NCC2CCC(O)C2)cc1.
What is the InChIKey of N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide?
The InChIKey is OWXAXZKYXFHRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-16-20(18,19)14-7-4-12(5-8-14)15-10-11-3-6-13(17)9-11/h4-5,7-8,11,13,15-17H,2-3,6,9-10H2,1H3.
What are the key properties of N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide?
N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 106128063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).