N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide

C14H22N2O3S — CID 65110425

IUPACN-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCC1(O)CCCC1
InChIInChI=1S/C14H22N2O3S/c1-2-16-20(18,19)13-8-4-3-7-12(13)15-11-14(17)9-5-6-10-14/h3-4,7-8,15-17H,2,5-6,9-11H2,1H3
InChIKeyGRSVHIRIVBDDQI-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.70
Rot. Bonds6

About N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide

N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide (PubChem CID 65110425) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
PubChem CID65110425
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCC1(O)CCCC1
InChIInChI=1S/C14H22N2O3S/c1-2-16-20(18,19)13-8-4-3-7-12(13)15-11-14(17)9-5-6-10-14/h3-4,7-8,15-17H,2,5-6,9-11H2,1H3
InChIKeyGRSVHIRIVBDDQI-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-(ethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 60853345
1-[(2-ethylanilino)methyl]cyclohexan-1-ol
CID 60901849
2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122738
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606
2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122736
N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide
CID 66007000
N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
CID 115753878
N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide
CID 62640898
2-amino-3-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 107116415
N-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline
CID 103753761

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide?
The IUPAC name of N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide (CID 65110425) is N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide is CCNS(=O)(=O)c1ccccc1NCC1(O)CCCC1.
What is the InChIKey of N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide?
The InChIKey is GRSVHIRIVBDDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-16-20(18,19)13-8-4-3-7-12(13)15-11-14(17)9-5-6-10-14/h3-4,7-8,15-17H,2,5-6,9-11H2,1H3.
What are the key properties of N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide?
N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 65110425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).