N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

C15H12F3N5O2S — CID 16809038

IUPACN-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1nnnn1-c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3N5O2S/c16-15(17,18)11-5-4-8-13(9-11)26(24,25)19-10-14-20-21-22-23(14)12-6-2-1-3-7-12/h1-9,19H,10H2
InChIKeyCJCCORCOPAANHU-UHFFFAOYSA-N
MW383.36 g/mol
LogP2.16
Rot. Bonds5

About N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 16809038) has the molecular formula C15H12F3N5O2S and a molecular weight of 383.36 g/mol. Its IUPAC name is N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID16809038
Molecular FormulaC15H12F3N5O2S
Molecular Weight383.36 g/mol
Exact Mass383.07
IUPAC NameN-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1nnnn1-c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3N5O2S/c16-15(17,18)11-5-4-8-13(9-11)26(24,25)19-10-14-20-21-22-23(14)12-6-2-1-3-7-12/h1-9,19H,10H2
InChIKeyCJCCORCOPAANHU-UHFFFAOYSA-N
XLogP2.16
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 16809038) is N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1nnnn1-c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CJCCORCOPAANHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2S/c16-15(17,18)11-5-4-8-13(9-11)26(24,25)19-10-14-20-21-22-23(14)12-6-2-1-3-7-12/h1-9,19H,10H2.
What are the key properties of N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 383.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 16809038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).