4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide

C21H24FN5O2S — CID 159889034

IUPAC4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C21H24FN5O2S/c1-23-30(28,29)19-12-7-16(13-15-5-3-2-4-6-15)20(14-19)21-24-26-27(25-21)18-10-8-17(22)9-11-18/h7-12,14-15,23H,2-6,13H2,1H3
InChIKeyNUMUPYGUAFBYPA-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.50
Rot. Bonds6

About 4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide

4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide (PubChem CID 159889034) has the molecular formula C21H24FN5O2S and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide
PubChem CID159889034
Molecular FormulaC21H24FN5O2S
Molecular Weight429.52 g/mol
Exact Mass429.16
IUPAC Name4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C21H24FN5O2S/c1-23-30(28,29)19-12-7-16(13-15-5-3-2-4-6-15)20(14-19)21-24-26-27(25-21)18-10-8-17(22)9-11-18/h7-12,14-15,23H,2-6,13H2,1H3
InChIKeyNUMUPYGUAFBYPA-UHFFFAOYSA-N
XLogP3.50
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclohexylmethyl)-3-[2-(2-fluoroethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide
CID 159428193
4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 160818531
4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide
CID 157246135
bromoethane;4-(cyclohexylamino)-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-(2-ethyltetrazol-5-yl)-N-methylbenzenesulfonamide;methane
CID 157072938
4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide
CID 158433776
4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-ylbenzenesulfonamide
CID 159194940
4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 159929577
4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide
CID 163579095
N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide
CID 1451970
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide
CID 47060223
2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 136590042
4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 54932320

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide (CID 159889034) is 4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide?
The InChIKey is NUMUPYGUAFBYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2S/c1-23-30(28,29)19-12-7-16(13-15-5-3-2-4-6-15)20(14-19)21-24-26-27(25-21)18-10-8-17(22)9-11-18/h7-12,14-15,23H,2-6,13H2,1H3.
What are the key properties of 4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide?
4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide has a molecular weight of 429.52 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 159889034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).