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

C10H8N4O2S2 — CID 64899112

IUPAC2-amino-4-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2nccs2)c(N)c1
InChIInChI=1S/C10H8N4O2S2/c11-6-7-1-2-9(8(12)5-7)18(15,16)14-10-13-3-4-17-10/h1-5H,12H2,(H,13,14)
InChIKeyIBIWOCQYRGRYRW-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.40
Rot. Bonds3

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

2-amino-4-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 64899112) has the molecular formula C10H8N4O2S2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-4-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID64899112
Molecular FormulaC10H8N4O2S2
Molecular Weight280.33 g/mol
Exact Mass280.01
IUPAC Name2-amino-4-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2nccs2)c(N)c1
InChIInChI=1S/C10H8N4O2S2/c11-6-7-1-2-9(8(12)5-7)18(15,16)14-10-13-3-4-17-10/h1-5H,12H2,(H,13,14)
InChIKeyIBIWOCQYRGRYRW-UHFFFAOYSA-N
XLogP1.40
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256872
2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide
CID 64899347
2-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62148610
2-amino-4-cyano-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107596269
2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 64898474
4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25138353
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
2-amino-4-cyano-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 64899554
5-(3-aminoprop-1-ynyl)-2-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 60845136
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868
3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile
CID 63359664
2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 64899992

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 64899112) is 2-amino-4-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2nccs2)c(N)c1.
What is the InChIKey of 2-amino-4-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IBIWOCQYRGRYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S2/c11-6-7-1-2-9(8(12)5-7)18(15,16)14-10-13-3-4-17-10/h1-5H,12H2,(H,13,14).
What are the key properties of 2-amino-4-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide?
2-amino-4-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 280.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 64899112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).