N-cyclopropyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide

C12H12N2O3S2 — CID 118732060

IUPACN-cyclopropyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
SMILESO=c1[nH]c(-c2cccc(S(=O)(=O)NC3CC3)c2)cs1
InChIInChI=1S/C12H12N2O3S2/c15-12-13-11(7-18-12)8-2-1-3-10(6-8)19(16,17)14-9-4-5-9/h1-3,6-7,9,14H,4-5H2,(H,13,15)
InChIKeyRUBJBVODKLGFHA-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.54
Rot. Bonds4

About N-cyclopropyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide

N-cyclopropyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 118732060) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID118732060
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC NameN-cyclopropyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
SMILESO=c1[nH]c(-c2cccc(S(=O)(=O)NC3CC3)c2)cs1
InChIInChI=1S/C12H12N2O3S2/c15-12-13-11(7-18-12)8-2-1-3-10(6-8)19(16,17)14-9-4-5-9/h1-3,6-7,9,14H,4-5H2,(H,13,15)
InChIKeyRUBJBVODKLGFHA-UHFFFAOYSA-N
XLogP1.54
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide (CID 118732060) is N-cyclopropyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide is O=c1[nH]c(-c2cccc(S(=O)(=O)NC3CC3)c2)cs1.
What is the InChIKey of N-cyclopropyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is RUBJBVODKLGFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c15-12-13-11(7-18-12)8-2-1-3-10(6-8)19(16,17)14-9-4-5-9/h1-3,6-7,9,14H,4-5H2,(H,13,15).
What are the key properties of N-cyclopropyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide?
N-cyclopropyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 296.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 118732060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).