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

C15H13ClN4O2S — CID 71463165

IUPACN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccccc1
InChIInChI=1S/C15H13ClN4O2S/c16-13-7-6-12(11-20-9-8-17-19-20)15(10-13)18-23(21,22)14-4-2-1-3-5-14/h1-10,18H,11H2
InChIKeyCQDVOKKXYDPPOX-UHFFFAOYSA-N
MW348.82 g/mol
LogP2.78
Rot. Bonds5

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

N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 71463165) has the molecular formula C15H13ClN4O2S and a molecular weight of 348.82 g/mol. Its IUPAC name is N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID71463165
Molecular FormulaC15H13ClN4O2S
Molecular Weight348.82 g/mol
Exact Mass348.04
IUPAC NameN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccccc1
InChIInChI=1S/C15H13ClN4O2S/c16-13-7-6-12(11-20-9-8-17-19-20)15(10-13)18-23(21,22)14-4-2-1-3-5-14/h1-10,18H,11H2
InChIKeyCQDVOKKXYDPPOX-UHFFFAOYSA-N
XLogP2.78
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.78
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
4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 71450657
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
5-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 71452488
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 71454246
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide
CID 71454247
5-chloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 71454248
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-1-benzothiophene-3-sulfonamide
CID 71456008
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

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 71463165) is N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccccc1.
What is the InChIKey of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is CQDVOKKXYDPPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S/c16-13-7-6-12(11-20-9-8-17-19-20)15(10-13)18-23(21,22)14-4-2-1-3-5-14/h1-10,18H,11H2.
What are the key properties of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 348.82 g/mol, XLogP of 2.78, 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]benzenesulfonamide is sourced from PubChem (CID 71463165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).