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

C17H24FN5O2S — CID 159428193

IUPAC4-(cyclohexylmethyl)-3-[2-(2-fluoroethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(CCF)n2)c1
InChIInChI=1S/C17H24FN5O2S/c1-19-26(24,25)15-8-7-14(11-13-5-3-2-4-6-13)16(12-15)17-20-22-23(21-17)10-9-18/h7-8,12-13,19H,2-6,9-11H2,1H3
InChIKeyLQQJYVUDKIEOJX-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.34
Rot. Bonds7

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

4-(cyclohexylmethyl)-3-[2-(2-fluoroethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide (PubChem CID 159428193) has the molecular formula C17H24FN5O2S and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-3-[2-(2-fluoroethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-3-[2-(2-fluoroethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide
PubChem CID159428193
Molecular FormulaC17H24FN5O2S
Molecular Weight381.48 g/mol
Exact Mass381.16
IUPAC Name4-(cyclohexylmethyl)-3-[2-(2-fluoroethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(CCF)n2)c1
InChIInChI=1S/C17H24FN5O2S/c1-19-26(24,25)15-8-7-14(11-13-5-3-2-4-6-13)16(12-15)17-20-22-23(21-17)10-9-18/h7-8,12-13,19H,2-6,9-11H2,1H3
InChIKeyLQQJYVUDKIEOJX-UHFFFAOYSA-N
XLogP2.34
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide
CID 159889034
bromoethane;4-(cyclohexylamino)-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-(2-ethyltetrazol-5-yl)-N-methylbenzenesulfonamide;methane
CID 157072938
4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide
CID 157246135
4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 160818531
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-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide
CID 158433776
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-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide
CID 137499940
2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 136590042
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide
CID 47060223

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-3-[2-(2-fluoroethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-(cyclohexylmethyl)-3-[2-(2-fluoroethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide (CID 159428193) is 4-(cyclohexylmethyl)-3-[2-(2-fluoroethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(cyclohexylmethyl)-3-[2-(2-fluoroethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(cyclohexylmethyl)-3-[2-(2-fluoroethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2nnn(CCF)n2)c1.
What is the InChIKey of 4-(cyclohexylmethyl)-3-[2-(2-fluoroethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide?
The InChIKey is LQQJYVUDKIEOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O2S/c1-19-26(24,25)15-8-7-14(11-13-5-3-2-4-6-13)16(12-15)17-20-22-23(21-17)10-9-18/h7-8,12-13,19H,2-6,9-11H2,1H3.
What are the key properties of 4-(cyclohexylmethyl)-3-[2-(2-fluoroethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide?
4-(cyclohexylmethyl)-3-[2-(2-fluoroethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide has a molecular weight of 381.48 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-3-[2-(2-fluoroethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 159428193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).