2-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonyl chloride

C10H10ClN3O2S — CID 81038986

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonyl chloride
SMILESCc1nc(C)n(-c2ccccc2S(=O)(=O)Cl)n1
InChIInChI=1S/C10H10ClN3O2S/c1-7-12-8(2)14(13-7)9-5-3-4-6-10(9)17(11,15)16/h3-6H,1-2H3
InChIKeyKYJVDSNIOXOELG-UHFFFAOYSA-N
MW271.73 g/mol
LogP1.81
Rot. Bonds2

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonyl chloride

2-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonyl chloride (PubChem CID 81038986) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonyl chloride
PubChem CID81038986
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonyl chloride
SMILESCc1nc(C)n(-c2ccccc2S(=O)(=O)Cl)n1
InChIInChI=1S/C10H10ClN3O2S/c1-7-12-8(2)14(13-7)9-5-3-4-6-10(9)17(11,15)16/h3-6H,1-2H3
InChIKeyKYJVDSNIOXOELG-UHFFFAOYSA-N
XLogP1.81
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonyl chloride?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonyl chloride (CID 81038986) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonyl chloride.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonyl chloride?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonyl chloride is Cc1nc(C)n(-c2ccccc2S(=O)(=O)Cl)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonyl chloride?
The InChIKey is KYJVDSNIOXOELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c1-7-12-8(2)14(13-7)9-5-3-4-6-10(9)17(11,15)16/h3-6H,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonyl chloride?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonyl chloride has a molecular weight of 271.73 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenesulfonyl chloride is sourced from PubChem (CID 81038986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).