N-(2,5-difluorophenyl)-4-[4-(methoxymethyl)triazol-1-yl]benzenesulfonamide

C16H14F2N4O3S — CID 141468049

IUPACN-(2,5-difluorophenyl)-4-[4-(methoxymethyl)triazol-1-yl]benzenesulfonamide
SMILESCOCc1cn(-c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc2)nn1
InChIInChI=1S/C16H14F2N4O3S/c1-25-10-12-9-22(21-19-12)13-3-5-14(6-4-13)26(23,24)20-16-8-11(17)2-7-15(16)18/h2-9,20H,10H2,1H3
InChIKeyOSSKGKXURDRARV-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.49
Rot. Bonds6

About N-(2,5-difluorophenyl)-4-[4-(methoxymethyl)triazol-1-yl]benzenesulfonamide

N-(2,5-difluorophenyl)-4-[4-(methoxymethyl)triazol-1-yl]benzenesulfonamide (PubChem CID 141468049) has the molecular formula C16H14F2N4O3S and a molecular weight of 380.38 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-[4-(methoxymethyl)triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-[4-(methoxymethyl)triazol-1-yl]benzenesulfonamide
PubChem CID141468049
Molecular FormulaC16H14F2N4O3S
Molecular Weight380.38 g/mol
Exact Mass380.08
IUPAC NameN-(2,5-difluorophenyl)-4-[4-(methoxymethyl)triazol-1-yl]benzenesulfonamide
SMILESCOCc1cn(-c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc2)nn1
InChIInChI=1S/C16H14F2N4O3S/c1-25-10-12-9-22(21-19-12)13-3-5-14(6-4-13)26(23,24)20-16-8-11(17)2-7-15(16)18/h2-9,20H,10H2,1H3
InChIKeyOSSKGKXURDRARV-UHFFFAOYSA-N
XLogP2.49
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-[4-(methoxymethyl)triazol-1-yl]benzenesulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-[4-(methoxymethyl)triazol-1-yl]benzenesulfonamide (CID 141468049) is N-(2,5-difluorophenyl)-4-[4-(methoxymethyl)triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-[4-(methoxymethyl)triazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-[4-(methoxymethyl)triazol-1-yl]benzenesulfonamide is COCc1cn(-c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc2)nn1.
What is the InChIKey of N-(2,5-difluorophenyl)-4-[4-(methoxymethyl)triazol-1-yl]benzenesulfonamide?
The InChIKey is OSSKGKXURDRARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O3S/c1-25-10-12-9-22(21-19-12)13-3-5-14(6-4-13)26(23,24)20-16-8-11(17)2-7-15(16)18/h2-9,20H,10H2,1H3.
What are the key properties of N-(2,5-difluorophenyl)-4-[4-(methoxymethyl)triazol-1-yl]benzenesulfonamide?
N-(2,5-difluorophenyl)-4-[4-(methoxymethyl)triazol-1-yl]benzenesulfonamide has a molecular weight of 380.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-[4-(methoxymethyl)triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 141468049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).