N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide

C17H17ClN4O2S — CID 71454246

IUPACN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)cc1C
InChIInChI=1S/C17H17ClN4O2S/c1-12-3-6-16(9-13(12)2)25(23,24)20-17-10-15(18)5-4-14(17)11-22-8-7-19-21-22/h3-10,20H,11H2,1-2H3
InChIKeyVZPTWPGJCWIVGK-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.40
Rot. Bonds5

About N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide

N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 71454246) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide
PubChem CID71454246
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC NameN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)cc1C
InChIInChI=1S/C17H17ClN4O2S/c1-12-3-6-16(9-13(12)2)25(23,24)20-17-10-15(18)5-4-14(17)11-22-8-7-19-21-22/h3-10,20H,11H2,1-2H3
InChIKeyVZPTWPGJCWIVGK-UHFFFAOYSA-N
XLogP3.40
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 15985912
N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 71214976
3,4-dichloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71450658
3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71452487
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide
CID 71454247
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 71457815
4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71461439
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-cyanobenzenesulfonamide
CID 71456007
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71463165
4-amino-N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]benzenesulfonamide
CID 46947084
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-fluorobenzenesulfonamide
CID 71214748
4-tert-butyl-N-[4-chloro-2-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]benzenesulfonamide
CID 25134396

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide (CID 71454246) is N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)cc1C.
What is the InChIKey of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is VZPTWPGJCWIVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-12-3-6-16(9-13(12)2)25(23,24)20-17-10-15(18)5-4-14(17)11-22-8-7-19-21-22/h3-10,20H,11H2,1-2H3.
What are the key properties of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide?
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 376.87 g/mol, XLogP of 3.40, 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]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 71454246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).