N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-methylbenzenesulfonamide

C16H15ClN4O2S — CID 71214753

IUPACN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)cc1
InChIInChI=1S/C16H15ClN4O2S/c1-12-2-6-15(7-3-12)24(22,23)19-16-10-14(17)5-4-13(16)11-21-9-8-18-20-21/h2-10,19H,11H2,1H3
InChIKeyHUPSARVMXJDUMM-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.09
Rot. Bonds5

About N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-methylbenzenesulfonamide

N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 71214753) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID71214753
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC NameN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)cc1
InChIInChI=1S/C16H15ClN4O2S/c1-12-2-6-15(7-3-12)24(22,23)19-16-10-14(17)5-4-13(16)11-21-9-8-18-20-21/h2-10,19H,11H2,1H3
InChIKeyHUPSARVMXJDUMM-UHFFFAOYSA-N
XLogP3.09
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-methylbenzenesulfonamide (CID 71214753) is N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)cc1.
What is the InChIKey of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is HUPSARVMXJDUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c1-12-2-6-15(7-3-12)24(22,23)19-16-10-14(17)5-4-13(16)11-21-9-8-18-20-21/h2-10,19H,11H2,1H3.
What are the key properties of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-methylbenzenesulfonamide?
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 362.84 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71214753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).