N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide

C14H10F3N5O2S — CID 9317050

IUPACN-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3N5O2S/c15-14(16,17)10-4-6-13(7-5-10)25(23,24)19-11-2-1-3-12(8-11)22-9-18-20-21-22/h1-9,19H
InChIKeyVNDZIUNFCHBVIR-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.48
Rot. Bonds4

About N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide

N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 9317050) has the molecular formula C14H10F3N5O2S and a molecular weight of 369.33 g/mol. Its IUPAC name is N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID9317050
Molecular FormulaC14H10F3N5O2S
Molecular Weight369.33 g/mol
Exact Mass369.05
IUPAC NameN-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3N5O2S/c15-14(16,17)10-4-6-13(7-5-10)25(23,24)19-11-2-1-3-12(8-11)22-9-18-20-21-22/h1-9,19H
InChIKeyVNDZIUNFCHBVIR-UHFFFAOYSA-N
XLogP2.48
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide 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

N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 166204102
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 146021431
4-(2-oxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8823653
3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7693123
N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61250480
2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8519287
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 8841908
N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 8842839
N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 118346578
4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide
CID 116815573
N-[4-(tetrazol-1-yl)phenyl]naphthalene-2-sulfonamide
CID 2467029
[3-(tetrazol-1-yl)phenyl] 4-tert-butylbenzenesulfonate
CID 26942777

Frequently Asked Questions

What is the IUPAC name of N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (CID 9317050) is N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VNDZIUNFCHBVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2S/c15-14(16,17)10-4-6-13(7-5-10)25(23,24)19-11-2-1-3-12(8-11)22-9-18-20-21-22/h1-9,19H.
What are the key properties of N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 369.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 9317050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).