3-amino-N-cyclopentyl-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide

C15H19N3O3S2 — CID 118732078

IUPAC3-amino-N-cyclopentyl-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1c(N)cc(-c2csc(=O)[nH]2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C15H19N3O3S2/c1-9-12(16)6-10(13-8-22-15(19)17-13)7-14(9)23(20,21)18-11-4-2-3-5-11/h6-8,11,18H,2-5,16H2,1H3,(H,17,19)
InChIKeyBMXFOLOGRGMELZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.21
Rot. Bonds4

About 3-amino-N-cyclopentyl-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide

3-amino-N-cyclopentyl-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 118732078) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID118732078
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name3-amino-N-cyclopentyl-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1c(N)cc(-c2csc(=O)[nH]2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C15H19N3O3S2/c1-9-12(16)6-10(13-8-22-15(19)17-13)7-14(9)23(20,21)18-11-4-2-3-5-11/h6-8,11,18H,2-5,16H2,1H3,(H,17,19)
InChIKeyBMXFOLOGRGMELZ-UHFFFAOYSA-N
XLogP2.21
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-N-cyclopentyl-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-cyclopentyl-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide (CID 118732078) is 3-amino-N-cyclopentyl-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclopentyl-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide is Cc1c(N)cc(-c2csc(=O)[nH]2)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 3-amino-N-cyclopentyl-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is BMXFOLOGRGMELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-9-12(16)6-10(13-8-22-15(19)17-13)7-14(9)23(20,21)18-11-4-2-3-5-11/h6-8,11,18H,2-5,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-cyclopentyl-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
3-amino-N-cyclopentyl-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 353.47 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 118732078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).