3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide

C13H19ClN2O3S — CID 62088716

IUPAC3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide
SMILESCOC1CCCC1NS(=O)(=O)c1cc(N)c(C)c(Cl)c1
InChIInChI=1S/C13H19ClN2O3S/c1-8-10(14)6-9(7-11(8)15)20(17,18)16-12-4-3-5-13(12)19-2/h6-7,12-13,16H,3-5,15H2,1-2H3
InChIKeyKABBGTQXQGVUGS-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.08
Rot. Bonds4

About 3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide

3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide (PubChem CID 62088716) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide
PubChem CID62088716
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide
SMILESCOC1CCCC1NS(=O)(=O)c1cc(N)c(C)c(Cl)c1
InChIInChI=1S/C13H19ClN2O3S/c1-8-10(14)6-9(7-11(8)15)20(17,18)16-12-4-3-5-13(12)19-2/h6-7,12-13,16H,3-5,15H2,1-2H3
InChIKeyKABBGTQXQGVUGS-UHFFFAOYSA-N
XLogP2.08
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide (CID 62088716) is 3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide is COC1CCCC1NS(=O)(=O)c1cc(N)c(C)c(Cl)c1.
What is the InChIKey of 3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide?
The InChIKey is KABBGTQXQGVUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-8-10(14)6-9(7-11(8)15)20(17,18)16-12-4-3-5-13(12)19-2/h6-7,12-13,16H,3-5,15H2,1-2H3.
What are the key properties of 3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide?
3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 62088716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).