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

C10H10ClFN4O2S — CID 100637321

IUPAC3-chloro-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H10ClFN4O2S/c1-16(5-10-13-6-14-15-10)19(17,18)9-3-7(11)2-8(12)4-9/h2-4,6H,5H2,1H3,(H,13,14,15)
InChIKeyUQYMPJMXUGCWJX-UHFFFAOYSA-N
MW304.73 g/mol
LogP1.42
Rot. Bonds4

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

3-chloro-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide (PubChem CID 100637321) has the molecular formula C10H10ClFN4O2S and a molecular weight of 304.73 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
PubChem CID100637321
Molecular FormulaC10H10ClFN4O2S
Molecular Weight304.73 g/mol
Exact Mass304.02
IUPAC Name3-chloro-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H10ClFN4O2S/c1-16(5-10-13-6-14-15-10)19(17,18)9-3-7(11)2-8(12)4-9/h2-4,6H,5H2,1H3,(H,13,14,15)
InChIKeyUQYMPJMXUGCWJX-UHFFFAOYSA-N
XLogP1.42
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529715
2-chloro-6-fluoro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 75478589
4-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluorobenzenesulfonamide
CID 47064985
2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 47318721
2-chloro-5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 53569189
3-chloro-4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883152
3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883202
3-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883251
2,3,4-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883303
2,6-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883304
4-chloro-2-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883305
2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883353

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide (CID 100637321) is 3-chloro-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide is CN(Cc1ncn[nH]1)S(=O)(=O)c1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is UQYMPJMXUGCWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4O2S/c1-16(5-10-13-6-14-15-10)19(17,18)9-3-7(11)2-8(12)4-9/h2-4,6H,5H2,1H3,(H,13,14,15).
What are the key properties of 3-chloro-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide?
3-chloro-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 304.73 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 100637321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).