2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide

C13H19ClN2O3S — CID 115357865

IUPAC2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)NCC1(CO)CCCC1
InChIInChI=1S/C13H19ClN2O3S/c14-10-3-4-12(11(15)7-10)20(18,19)16-8-13(9-17)5-1-2-6-13/h3-4,7,16-17H,1-2,5-6,8-9,15H2
InChIKeyRAANHEFHIWKECT-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.75
Rot. Bonds5

About 2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide

2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide (PubChem CID 115357865) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
PubChem CID115357865
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)NCC1(CO)CCCC1
InChIInChI=1S/C13H19ClN2O3S/c14-10-3-4-12(11(15)7-10)20(18,19)16-8-13(9-17)5-1-2-6-13/h3-4,7,16-17H,1-2,5-6,8-9,15H2
InChIKeyRAANHEFHIWKECT-UHFFFAOYSA-N
XLogP1.75
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzenesulfonamide
CID 115755627
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115357869
5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115362906
2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
CID 115454045
2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345872
2-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methylbenzenesulfonamide
CID 115755603
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
CID 103965250
5-amino-4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 114625986
5-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 115454066
2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide
CID 115455387
2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 75431366
2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide
CID 115755597

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide (CID 115357865) is 2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide is Nc1cc(Cl)ccc1S(=O)(=O)NCC1(CO)CCCC1.
What is the InChIKey of 2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
The InChIKey is RAANHEFHIWKECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c14-10-3-4-12(11(15)7-10)20(18,19)16-8-13(9-17)5-1-2-6-13/h3-4,7,16-17H,1-2,5-6,8-9,15H2.
What are the key properties of 2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide?
2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide is sourced from PubChem (CID 115357865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).