2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide

C12H18N2O3S — CID 103270335

IUPAC2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NCC1CCC(O)C1
InChIInChI=1S/C12H18N2O3S/c13-11-3-1-2-4-12(11)18(16,17)14-8-9-5-6-10(15)7-9/h1-4,9-10,14-15H,5-8,13H2
InChIKeyPGKBEVCAQZDFQG-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.71
Rot. Bonds4

About 2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide

2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide (PubChem CID 103270335) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
PubChem CID103270335
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NCC1CCC(O)C1
InChIInChI=1S/C12H18N2O3S/c13-11-3-1-2-4-12(11)18(16,17)14-8-9-5-6-10(15)7-9/h1-4,9-10,14-15H,5-8,13H2
InChIKeyPGKBEVCAQZDFQG-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
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

2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 104859262
N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzenesulfonamide
CID 103270198
2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide
CID 106119187
2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
CID 104859207
3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119157
3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119168
2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119313
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119401
5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119339
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014409
2-amino-4,6-dibromo-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119165

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide (CID 103270335) is 2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide is Nc1ccccc1S(=O)(=O)NCC1CCC(O)C1.
What is the InChIKey of 2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
The InChIKey is PGKBEVCAQZDFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c13-11-3-1-2-4-12(11)18(16,17)14-8-9-5-6-10(15)7-9/h1-4,9-10,14-15H,5-8,13H2.
What are the key properties of 2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 103270335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).