4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide

C12H18N2O3S — CID 106362102

IUPAC4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCCC2CO)cc1
InChIInChI=1S/C12H18N2O3S/c13-18(16,17)11-6-4-10(5-7-11)14-12-3-1-2-9(12)8-15/h4-7,9,12,14-15H,1-3,8H2,(H2,13,16,17)
InChIKeyRPOLOJBCGSEUII-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.91
Rot. Bonds4

About 4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide

4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide (PubChem CID 106362102) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide
PubChem CID106362102
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCCC2CO)cc1
InChIInChI=1S/C12H18N2O3S/c13-18(16,17)11-6-4-10(5-7-11)14-12-3-1-2-9(12)8-15/h4-7,9,12,14-15H,1-3,8H2,(H2,13,16,17)
InChIKeyRPOLOJBCGSEUII-UHFFFAOYSA-N
XLogP0.91
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide
CID 106362103
3-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]benzenesulfonamide
CID 106359193
4-[(2-aminocyclohexyl)amino]benzenesulfonamide
CID 61037515
4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide
CID 43105411
1-[4-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]propan-1-one
CID 106362345
4-[(2-methylthian-3-yl)amino]benzenesulfonamide
CID 79956808
3-[[2-(2-hydroxyethyl)cyclopentyl]amino]-5-nitrobenzenesulfonamide
CID 133496467
[2-(3-nitroanilino)cyclopentyl]methanol
CID 103703697
4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956
[2-[(5-amino-3-pyridinyl)amino]cyclopentyl]methanol
CID 106368070
N'-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]oxamide
CID 97257734
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836042

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide?
The IUPAC name of 4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide (CID 106362102) is 4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(NC2CCCC2CO)cc1.
What is the InChIKey of 4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide?
The InChIKey is RPOLOJBCGSEUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c13-18(16,17)11-6-4-10(5-7-11)14-12-3-1-2-9(12)8-15/h4-7,9,12,14-15H,1-3,8H2,(H2,13,16,17).
What are the key properties of 4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide?
4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)cyclopentyl]amino]benzenesulfonamide is sourced from PubChem (CID 106362102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).