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

C14H10ClF2N5O2S — CID 16809073

IUPAC3-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H10ClF2N5O2S/c15-9-2-1-3-11(6-9)25(23,24)18-8-14-19-20-21-22(14)10-4-5-12(16)13(17)7-10/h1-7,18H,8H2
InChIKeyXERSBMAYPCZFJX-UHFFFAOYSA-N
MW385.78 g/mol
LogP2.07
Rot. Bonds5

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

3-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide (PubChem CID 16809073) has the molecular formula C14H10ClF2N5O2S and a molecular weight of 385.78 g/mol. Its IUPAC name is 3-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide
PubChem CID16809073
Molecular FormulaC14H10ClF2N5O2S
Molecular Weight385.78 g/mol
Exact Mass385.02
IUPAC Name3-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H10ClF2N5O2S/c15-9-2-1-3-11(6-9)25(23,24)18-8-14-19-20-21-22(14)10-4-5-12(16)13(17)7-10/h1-7,18H,8H2
InChIKeyXERSBMAYPCZFJX-UHFFFAOYSA-N
XLogP2.07
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.78
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8189733
N-[4-({[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}sulfamoyl)phenyl]acetamide
CID 16799317
2,4-difluoro-N-((1-(p-tolyl)-1H-tetrazol-5-yl)methyl)benzenesulfonamide
CID 16809029
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
N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)ethanesulfonamide
CID 18565858
N-((1-(3-fluorophenyl)-1H-tetrazol-5-yl)methyl)propane-1-sulfonamide
CID 41568610
({[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}sulfamoyl)dimethylamine
CID 18565856
N-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)methyl]-2-(trifluoromethyl)benzene-1-sulfonamide
CID 16809037
N-((1-phenyl-1H-tetrazol-5-yl)methyl)-3-(trifluoromethyl)benzenesulfonamide
CID 16809038
N-((1-(3-fluorophenyl)-1H-tetrazol-5-yl)methyl)-4-methylbenzenesulfonamide
CID 16809040

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide (CID 16809073) is 3-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is XERSBMAYPCZFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N5O2S/c15-9-2-1-3-11(6-9)25(23,24)18-8-14-19-20-21-22(14)10-4-5-12(16)13(17)7-10/h1-7,18H,8H2.
What are the key properties of 3-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
3-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 385.78 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16809073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).