(4-chlorophenyl)sulfonyl-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azanide

C15H12ClN4O2S- — CID 4255931

IUPAC(4-chlorophenyl)sulfonyl-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azanide
SMILESCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H12ClN4O2S/c1-20-10-17-18-15(20)11-3-2-4-13(9-11)19-23(21,22)14-7-5-12(16)6-8-14/h2-10H,1H3/q-1
InChIKeyJIOLXVZMLYKHEC-UHFFFAOYSA-N
MW347.81 g/mol
LogP3.53
Rot. Bonds4

About (4-chlorophenyl)sulfonyl-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azanide

(4-chlorophenyl)sulfonyl-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azanide (PubChem CID 4255931) has the molecular formula C15H12ClN4O2S- and a molecular weight of 347.81 g/mol. Its IUPAC name is (4-chlorophenyl)sulfonyl-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azanide.

Molecular Properties

Compound Name(4-chlorophenyl)sulfonyl-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azanide
PubChem CID4255931
Molecular FormulaC15H12ClN4O2S-
Molecular Weight347.81 g/mol
Exact Mass347.04
IUPAC Name(4-chlorophenyl)sulfonyl-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azanide
SMILESCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H12ClN4O2S/c1-20-10-17-18-15(20)11-3-2-4-13(9-11)19-23(21,22)14-7-5-12(16)6-8-14/h2-10H,1H3/q-1
InChIKeyJIOLXVZMLYKHEC-UHFFFAOYSA-N
XLogP3.53
TPSA78.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)sulfonyl-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azanide?
The IUPAC name of (4-chlorophenyl)sulfonyl-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azanide (CID 4255931) is (4-chlorophenyl)sulfonyl-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azanide.
What is the SMILES notation for (4-chlorophenyl)sulfonyl-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azanide?
The canonical SMILES for (4-chlorophenyl)sulfonyl-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azanide is Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of (4-chlorophenyl)sulfonyl-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azanide?
The InChIKey is JIOLXVZMLYKHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN4O2S/c1-20-10-17-18-15(20)11-3-2-4-13(9-11)19-23(21,22)14-7-5-12(16)6-8-14/h2-10H,1H3/q-1.
What are the key properties of (4-chlorophenyl)sulfonyl-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azanide?
(4-chlorophenyl)sulfonyl-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azanide has a molecular weight of 347.81 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)sulfonyl-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azanide is sourced from PubChem (CID 4255931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).