N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2,5-difluorobenzenesulfonamide

C14H9F4N5O2S — CID 16809069

IUPACN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H9F4N5O2S/c15-8-1-3-11(17)13(5-8)26(24,25)19-7-14-20-21-22-23(14)9-2-4-10(16)12(18)6-9/h1-6,19H,7H2
InChIKeyCOCCDRJZPVYQPP-UHFFFAOYSA-N
MW387.32 g/mol
LogP1.70
Rot. Bonds5

About N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2,5-difluorobenzenesulfonamide

N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2,5-difluorobenzenesulfonamide (PubChem CID 16809069) has the molecular formula C14H9F4N5O2S and a molecular weight of 387.32 g/mol. Its IUPAC name is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2,5-difluorobenzenesulfonamide
PubChem CID16809069
Molecular FormulaC14H9F4N5O2S
Molecular Weight387.32 g/mol
Exact Mass387.04
IUPAC NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H9F4N5O2S/c15-8-1-3-11(17)13(5-8)26(24,25)19-7-14-20-21-22-23(14)9-2-4-10(16)12(18)6-9/h1-6,19H,7H2
InChIKeyCOCCDRJZPVYQPP-UHFFFAOYSA-N
XLogP1.70
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2,5-difluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-Fluorophenyl)sulfonylmethyl]-1-phenyltetrazole
CID 8072963
1-phenyl-5-[(phenylsulfonyl)methyl]-1H-tetrazole
CID 16452094
2-fluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8015656
3-fluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8189726
4-fluoro-N-{2-[(1-phenyl-1H-tetrazol-5-yl)thio]ethyl}benzenesulfonamide
CID 2222606
1-(Benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine
CID 2416006
2,3,4-trifluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 2451006
N-(4-(N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)sulfamoyl)phenyl)acetamide
CID 16799322
N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)thiophene-2-sulfonamide
CID 16799324
2,4-difluoro-N-((1-(p-tolyl)-1H-tetrazol-5-yl)methyl)benzenesulfonamide
CID 16809029
3-chloro-N-{[1-(3,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}benzene-1-sulfonamide
CID 16809073
N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)-4-methylbenzenesulfonamide
CID 16809078

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2,5-difluorobenzenesulfonamide (CID 16809069) is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2,5-difluorobenzenesulfonamide is O=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1cc(F)ccc1F.
What is the InChIKey of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is COCCDRJZPVYQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4N5O2S/c15-8-1-3-11(17)13(5-8)26(24,25)19-7-14-20-21-22-23(14)9-2-4-10(16)12(18)6-9/h1-6,19H,7H2.
What are the key properties of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2,5-difluorobenzenesulfonamide?
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 387.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 16809069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).