4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide

C17H18FN5O2S — CID 163627918

IUPAC4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cc2cc(C)cc(F)c2)c(-c2nnnn2C)c1
InChIInChI=1S/C17H18FN5O2S/c1-11-6-12(9-14(18)7-11)8-13-4-5-15(26(24,25)19-2)10-16(13)17-20-21-22-23(17)3/h4-7,9-10,19H,8H2,1-3H3
InChIKeyBIXSUKBCHUMIFW-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.82
Rot. Bonds5

About 4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide

4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide (PubChem CID 163627918) has the molecular formula C17H18FN5O2S and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide
PubChem CID163627918
Molecular FormulaC17H18FN5O2S
Molecular Weight375.43 g/mol
Exact Mass375.12
IUPAC Name4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cc2cc(C)cc(F)c2)c(-c2nnnn2C)c1
InChIInChI=1S/C17H18FN5O2S/c1-11-6-12(9-14(18)7-11)8-13-4-5-15(26(24,25)19-2)10-16(13)17-20-21-22-23(17)3/h4-7,9-10,19H,8H2,1-3H3
InChIKeyBIXSUKBCHUMIFW-UHFFFAOYSA-N
XLogP1.82
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide (CID 163627918) is 4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(Cc2cc(C)cc(F)c2)c(-c2nnnn2C)c1.
What is the InChIKey of 4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide?
The InChIKey is BIXSUKBCHUMIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2S/c1-11-6-12(9-14(18)7-11)8-13-4-5-15(26(24,25)19-2)10-16(13)17-20-21-22-23(17)3/h4-7,9-10,19H,8H2,1-3H3.
What are the key properties of 4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide?
4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide has a molecular weight of 375.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 163627918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).