4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide

C16H15F2N5O2S — CID 158433776

IUPAC4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cc2cc(F)ccc2F)c(-c2nnn(C)n2)c1
InChIInChI=1S/C16H15F2N5O2S/c1-19-26(24,25)13-5-3-10(7-11-8-12(17)4-6-15(11)18)14(9-13)16-20-22-23(2)21-16/h3-6,8-9,19H,7H2,1-2H3
InChIKeyHBZBZELHAPUDDZ-UHFFFAOYSA-N
MW379.39 g/mol
LogP1.65
Rot. Bonds5

About 4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide

4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide (PubChem CID 158433776) has the molecular formula C16H15F2N5O2S and a molecular weight of 379.39 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide
PubChem CID158433776
Molecular FormulaC16H15F2N5O2S
Molecular Weight379.39 g/mol
Exact Mass379.09
IUPAC Name4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cc2cc(F)ccc2F)c(-c2nnn(C)n2)c1
InChIInChI=1S/C16H15F2N5O2S/c1-19-26(24,25)13-5-3-10(7-11-8-12(17)4-6-15(11)18)14(9-13)16-20-22-23(2)21-16/h3-6,8-9,19H,7H2,1-2H3
InChIKeyHBZBZELHAPUDDZ-UHFFFAOYSA-N
XLogP1.65
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide
CID 159889034
[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine
CID 21069889
4-(cyclohexylmethyl)-3-[2-(2-fluoroethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide
CID 159428193
1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042414
4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 125498168
N-methyl-3-(1-methylimidazol-4-yl)-4-[(4-methylphenyl)methyl]benzenesulfonamide
CID 163534192
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110780979
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 25047062
3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 63795143
3-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110781006
3-amino-4-(2,5-difluoroanilino)-N-methylbenzenesulfonamide
CID 43449169
[1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine
CID 107066099

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide (CID 158433776) is 4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(Cc2cc(F)ccc2F)c(-c2nnn(C)n2)c1.
What is the InChIKey of 4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide?
The InChIKey is HBZBZELHAPUDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O2S/c1-19-26(24,25)13-5-3-10(7-11-8-12(17)4-6-15(11)18)14(9-13)16-20-22-23(2)21-16/h3-6,8-9,19H,7H2,1-2H3.
What are the key properties of 4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide?
4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide has a molecular weight of 379.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 158433776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).