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

C14H17N3O3S2 — CID 118732077

IUPAC3-amino-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
SMILESNc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C14H17N3O3S2/c15-10-5-9(13-8-21-14(18)16-13)6-12(7-10)22(19,20)17-11-3-1-2-4-11/h5-8,11,17H,1-4,15H2,(H,16,18)
InChIKeyLPNPZTHMHNYJHJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.91
Rot. Bonds4

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

3-amino-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 118732077) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID118732077
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name3-amino-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
SMILESNc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C14H17N3O3S2/c15-10-5-9(13-8-21-14(18)16-13)6-12(7-10)22(19,20)17-11-3-1-2-4-11/h5-8,11,17H,1-4,15H2,(H,16,18)
InChIKeyLPNPZTHMHNYJHJ-UHFFFAOYSA-N
XLogP1.91
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(Cyclopentylsulfamoyl)-5-(2-Oxo-2,3-Dihydro-1,3-Thiazol-4-Yl)phenyl]cyclopropanecarboxamide
CID 91809476
N-Cyclopentyl-3-(2-Oxo-2,3-Dihydro-1,3-Thiazol-4-Yl)benzenesulfonamide
CID 91809474
N-cyclopentyl-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
CID 118732069
N-cyclopentyl-2-fluoro-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
CID 118732071
2-amino-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
CID 118732072
3-amino-N-cyclopentyl-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
CID 118732078
N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide
CID 118732080
N-[3-(cyclopentylsulfamoyl)-2-methyl-5-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide
CID 118732081
N-cyclopentyl-2-methyl-3-(methylamino)-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
CID 118732084
N-cyclopropyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
CID 118732060
N-cyclohexyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
CID 118732061
N-(4-aminophenyl)-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
CID 118732063

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide (CID 118732077) is 3-amino-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide is Nc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-amino-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is LPNPZTHMHNYJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c15-10-5-9(13-8-21-14(18)16-13)6-12(7-10)22(19,20)17-11-3-1-2-4-11/h5-8,11,17H,1-4,15H2,(H,16,18).
What are the key properties of 3-amino-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
3-amino-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 339.44 g/mol, XLogP of 1.91, 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-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 118732077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).