N-[(3-fluorophenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide

C15H14FN5O2S — CID 71997787

IUPACN-[(3-fluorophenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide
SMILESCn1nnnc1-c1cccc(S(=O)(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C15H14FN5O2S/c1-21-15(18-19-20-21)12-5-3-7-14(9-12)24(22,23)17-10-11-4-2-6-13(16)8-11/h2-9,17H,10H2,1H3
InChIKeyJMRCJXXWJZLFJB-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.49
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide

N-[(3-fluorophenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide (PubChem CID 71997787) has the molecular formula C15H14FN5O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide
PubChem CID71997787
Molecular FormulaC15H14FN5O2S
Molecular Weight347.38 g/mol
Exact Mass347.09
IUPAC NameN-[(3-fluorophenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide
SMILESCn1nnnc1-c1cccc(S(=O)(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C15H14FN5O2S/c1-21-15(18-19-20-21)12-5-3-7-14(9-12)24(22,23)17-10-11-4-2-6-13(16)8-11/h2-9,17H,10H2,1H3
InChIKeyJMRCJXXWJZLFJB-UHFFFAOYSA-N
XLogP1.49
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide (CID 71997787) is N-[(3-fluorophenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide is Cn1nnnc1-c1cccc(S(=O)(=O)NCc2cccc(F)c2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide?
The InChIKey is JMRCJXXWJZLFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2S/c1-21-15(18-19-20-21)12-5-3-7-14(9-12)24(22,23)17-10-11-4-2-6-13(16)8-11/h2-9,17H,10H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide?
N-[(3-fluorophenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide has a molecular weight of 347.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-(1-methyltetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71997787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).