3-chloro-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide

C10H11ClN4O2S — CID 54883199

IUPAC3-chloro-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C10H11ClN4O2S/c1-7-8(11)3-2-4-9(7)18(16,17)14-5-10-12-6-13-15-10/h2-4,6,14H,5H2,1H3,(H,12,13,15)
InChIKeyPZBWTNRFXBIZQF-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.25
Rot. Bonds4

About 3-chloro-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide

3-chloro-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide (PubChem CID 54883199) has the molecular formula C10H11ClN4O2S and a molecular weight of 286.74 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
PubChem CID54883199
Molecular FormulaC10H11ClN4O2S
Molecular Weight286.74 g/mol
Exact Mass286.03
IUPAC Name3-chloro-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C10H11ClN4O2S/c1-7-8(11)3-2-4-9(7)18(16,17)14-5-10-12-6-13-15-10/h2-4,6,14H,5H2,1H3,(H,12,13,15)
InChIKeyPZBWTNRFXBIZQF-UHFFFAOYSA-N
XLogP1.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide (CID 54883199) is 3-chloro-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCc1ncn[nH]1.
What is the InChIKey of 3-chloro-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is PZBWTNRFXBIZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2S/c1-7-8(11)3-2-4-9(7)18(16,17)14-5-10-12-6-13-15-10/h2-4,6,14H,5H2,1H3,(H,12,13,15).
What are the key properties of 3-chloro-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
3-chloro-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 286.74 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 54883199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).