2-chloro-6-fluoro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide

C11H12ClFN4O2S — CID 75478589

IUPAC2-chloro-6-fluoro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
SMILESCN(Cc1ncnn1C)S(=O)(=O)c1c(F)cccc1Cl
InChIInChI=1S/C11H12ClFN4O2S/c1-16(6-10-14-7-15-17(10)2)20(18,19)11-8(12)4-3-5-9(11)13/h3-5,7H,6H2,1-2H3
InChIKeyCHIMPCSVQDKJSU-UHFFFAOYSA-N
MW318.76 g/mol
LogP1.43
Rot. Bonds4

About 2-chloro-6-fluoro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide

2-chloro-6-fluoro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide (PubChem CID 75478589) has the molecular formula C11H12ClFN4O2S and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
PubChem CID75478589
Molecular FormulaC11H12ClFN4O2S
Molecular Weight318.76 g/mol
Exact Mass318.04
IUPAC Name2-chloro-6-fluoro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
SMILESCN(Cc1ncnn1C)S(=O)(=O)c1c(F)cccc1Cl
InChIInChI=1S/C11H12ClFN4O2S/c1-16(6-10-14-7-15-17(10)2)20(18,19)11-8(12)4-3-5-9(11)13/h3-5,7H,6H2,1-2H3
InChIKeyCHIMPCSVQDKJSU-UHFFFAOYSA-N
XLogP1.43
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 45817092
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CID 47064985
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CID 47158420
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CID 47318721
CID 47318721

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-6-fluoro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide (CID 75478589) is 2-chloro-6-fluoro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-6-fluoro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide is CN(Cc1ncnn1C)S(=O)(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is CHIMPCSVQDKJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4O2S/c1-16(6-10-14-7-15-17(10)2)20(18,19)11-8(12)4-3-5-9(11)13/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-chloro-6-fluoro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide?
2-chloro-6-fluoro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 318.76 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 75478589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).