2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide

C10H6ClN5O2S — CID 114387982

IUPAC2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)Nc2nccnn2)c1
InChIInChI=1S/C10H6ClN5O2S/c11-8-2-1-7(6-12)5-9(8)19(17,18)16-10-13-3-4-14-15-10/h1-5H,(H,13,15,16)
InChIKeyGGTPGTVIQHGAQX-UHFFFAOYSA-N
MW295.71 g/mol
LogP1.20
Rot. Bonds3

About 2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide

2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide (PubChem CID 114387982) has the molecular formula C10H6ClN5O2S and a molecular weight of 295.71 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide
PubChem CID114387982
Molecular FormulaC10H6ClN5O2S
Molecular Weight295.71 g/mol
Exact Mass294.99
IUPAC Name2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)Nc2nccnn2)c1
InChIInChI=1S/C10H6ClN5O2S/c11-8-2-1-7(6-12)5-9(8)19(17,18)16-10-13-3-4-14-15-10/h1-5H,(H,13,15,16)
InChIKeyGGTPGTVIQHGAQX-UHFFFAOYSA-N
XLogP1.20
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.71
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide
CID 80704266
2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide
CID 104821746
2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 80703875
2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide
CID 104922549
2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081872
2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 80696701
2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 80704923
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238
N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704826
2-chloro-N-(2-chloroethyl)-5-cyanobenzenesulfonamide
CID 80704394
N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704011
2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
CID 80696837

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide (CID 114387982) is 2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide is N#Cc1ccc(Cl)c(S(=O)(=O)Nc2nccnn2)c1.
What is the InChIKey of 2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
The InChIKey is GGTPGTVIQHGAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5O2S/c11-8-2-1-7(6-12)5-9(8)19(17,18)16-10-13-3-4-14-15-10/h1-5H,(H,13,15,16).
What are the key properties of 2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide?
2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide has a molecular weight of 295.71 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 114387982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).