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

C10H11F2N5O2S — CID 18565858

IUPACN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nnnn1-c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2N5O2S/c1-2-20(18,19)13-6-10-14-15-16-17(10)7-3-4-8(11)9(12)5-7/h3-5,13H,2,6H2,1H3
InChIKeyAONRKGQXOXVUKE-UHFFFAOYSA-N
MW303.29 g/mol
LogP0.38
Rot. Bonds5

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

N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]ethanesulfonamide (PubChem CID 18565858) has the molecular formula C10H11F2N5O2S and a molecular weight of 303.29 g/mol. Its IUPAC name is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]ethanesulfonamide
PubChem CID18565858
Molecular FormulaC10H11F2N5O2S
Molecular Weight303.29 g/mol
Exact Mass303.06
IUPAC NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nnnn1-c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2N5O2S/c1-2-20(18,19)13-6-10-14-15-16-17(10)7-3-4-8(11)9(12)5-7/h3-5,13H,2,6H2,1H3
InChIKeyAONRKGQXOXVUKE-UHFFFAOYSA-N
XLogP0.38
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-Phenyltetrazol-5-yl)methanamine
CID 2968625
N-{2-[(1-phenyl-1H-tetrazol-5-yl)thio]ethyl}methanesulfonamide
CID 2222244
5-[(4-Fluorophenyl)sulfonylmethyl]-1-phenyltetrazole
CID 8072963
(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)methanamine hydrochloride
CID 2968624
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
4-fluoro-N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)benzenesulfonamide
CID 16809081
N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)-2-(trifluoromethyl)benzenesulfonamide
CID 16809089
4-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 30858568

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]ethanesulfonamide (CID 18565858) is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1nnnn1-c1ccc(F)c(F)c1.
What is the InChIKey of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]ethanesulfonamide?
The InChIKey is AONRKGQXOXVUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5O2S/c1-2-20(18,19)13-6-10-14-15-16-17(10)7-3-4-8(11)9(12)5-7/h3-5,13H,2,6H2,1H3.
What are the key properties of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]ethanesulfonamide?
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]ethanesulfonamide has a molecular weight of 303.29 g/mol, XLogP of 0.38, 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]ethanesulfonamide is sourced from PubChem (CID 18565858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).