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

C14H11ClFN5O2S — CID 16809041

IUPAC4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nnnn1-c1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClFN5O2S/c15-10-4-6-13(7-5-10)24(22,23)17-9-14-18-19-20-21(14)12-3-1-2-11(16)8-12/h1-8,17H,9H2
InChIKeyMDZRTFAYUVAUMC-UHFFFAOYSA-N
MW367.79 g/mol
LogP1.93
Rot. Bonds5

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

4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide (PubChem CID 16809041) has the molecular formula C14H11ClFN5O2S and a molecular weight of 367.79 g/mol. Its IUPAC name is 4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide
PubChem CID16809041
Molecular FormulaC14H11ClFN5O2S
Molecular Weight367.79 g/mol
Exact Mass367.03
IUPAC Name4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nnnn1-c1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClFN5O2S/c15-10-4-6-13(7-5-10)24(22,23)17-9-14-18-19-20-21(14)12-3-1-2-11(16)8-12/h1-8,17H,9H2
InChIKeyMDZRTFAYUVAUMC-UHFFFAOYSA-N
XLogP1.93
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 16809052
3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide
CID 18565850
4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579938
4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579947
1-(2,6-difluorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
CID 18566026
1-(2-chloroethyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
CID 18566025
N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide
CID 18565844
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579946
1-(2-chlorophenyl)-3-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]urea
CID 18566031
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110780979
N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737561
N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-2,4-difluorobenzenesulfonamide
CID 16820039

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide (CID 16809041) is 4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1nnnn1-c1cccc(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is MDZRTFAYUVAUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5O2S/c15-10-4-6-13(7-5-10)24(22,23)17-9-14-18-19-20-21(14)12-3-1-2-11(16)8-12/h1-8,17H,9H2.
What are the key properties of 4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 367.79 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16809041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).