4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide

C13H20N2O3S — CID 64501520

IUPAC4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC1CCC(C)C1
InChIInChI=1S/C13H20N2O3S/c1-9-3-4-10(7-9)15-12-8-11(19(14,16)17)5-6-13(12)18-2/h5-6,8-10,15H,3-4,7H2,1-2H3,(H2,14,16,17)
InChIKeyOWPRIHJFLDTGKD-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.94
Rot. Bonds4

About 4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide

4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide (PubChem CID 64501520) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide
PubChem CID64501520
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC1CCC(C)C1
InChIInChI=1S/C13H20N2O3S/c1-9-3-4-10(7-9)15-12-8-11(19(14,16)17)5-6-13(12)18-2/h5-6,8-10,15H,3-4,7H2,1-2H3,(H2,14,16,17)
InChIKeyOWPRIHJFLDTGKD-UHFFFAOYSA-N
XLogP1.94
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide (CID 64501520) is 4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1NC1CCC(C)C1.
What is the InChIKey of 4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide?
The InChIKey is OWPRIHJFLDTGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-3-4-10(7-9)15-12-8-11(19(14,16)17)5-6-13(12)18-2/h5-6,8-10,15H,3-4,7H2,1-2H3,(H2,14,16,17).
What are the key properties of 4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide?
4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide is sourced from PubChem (CID 64501520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).