4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide

C13H12N4O2S2 — CID 61479708

IUPAC4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESN#Cc1cc(N)ccc1S(=O)(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C13H12N4O2S2/c14-6-9-5-10(15)3-4-12(9)21(18,19)17-13-16-11(7-20-13)8-1-2-8/h3-5,7-8H,1-2,15H2,(H,16,17)
InChIKeyOSUNTKIZFFHUMS-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.28
Rot. Bonds4

About 4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide

4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 61479708) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID61479708
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC Name4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESN#Cc1cc(N)ccc1S(=O)(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C13H12N4O2S2/c14-6-9-5-10(15)3-4-12(9)21(18,19)17-13-16-11(7-20-13)8-1-2-8/h3-5,7-8H,1-2,15H2,(H,16,17)
InChIKeyOSUNTKIZFFHUMS-UHFFFAOYSA-N
XLogP2.28
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 61479708) is 4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide is N#Cc1cc(N)ccc1S(=O)(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of 4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is OSUNTKIZFFHUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c14-6-9-5-10(15)3-4-12(9)21(18,19)17-13-16-11(7-20-13)8-1-2-8/h3-5,7-8H,1-2,15H2,(H,16,17).
What are the key properties of 4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 320.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 61479708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).