N-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

C14H16F3N5O2S — CID 118257032

IUPACN-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1c(-c2nn[nH]n2)cccc1C(F)(F)F
InChIInChI=1S/C14H16F3N5O2S/c15-14(16,17)11-8-4-7-10(13-18-21-22-19-13)12(11)25(23,24)20-9-5-2-1-3-6-9/h4,7-9,20H,1-3,5-6H2,(H,18,19,21,22)
InChIKeyZHSDWTXGWUGFDP-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.50
Rot. Bonds4

About N-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

N-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 118257032) has the molecular formula C14H16F3N5O2S and a molecular weight of 375.38 g/mol. Its IUPAC name is N-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID118257032
Molecular FormulaC14H16F3N5O2S
Molecular Weight375.38 g/mol
Exact Mass375.10
IUPAC NameN-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1c(-c2nn[nH]n2)cccc1C(F)(F)F
InChIInChI=1S/C14H16F3N5O2S/c15-14(16,17)11-8-4-7-10(13-18-21-22-19-13)12(11)25(23,24)20-9-5-2-1-3-6-9/h4,7-9,20H,1-3,5-6H2,(H,18,19,21,22)
InChIKeyZHSDWTXGWUGFDP-UHFFFAOYSA-N
XLogP2.50
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(azacycloundec-6-ylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 123858922
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543
3-[4-[[4-(aminomethyl)cyclohexyl]amino]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266396
3-[4-[(3-aminocyclopentyl)amino]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266376
N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-2-(trifluoromethyl)benzenesulfonamide
CID 97079898
3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266421
2-(2H-tetrazol-5-yl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118257203
3-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 157127658
N-[2-[cyclohexyl(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 121349460
3-[4-(7-azaspiro[3.5]nonan-2-ylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266296
N-cyclooctyl-1H-pyrazole-5-sulfonamide
CID 102691484
N-cycloheptyl-1H-pyrazole-5-sulfonamide
CID 102691549

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 118257032) is N-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCCCC1)c1c(-c2nn[nH]n2)cccc1C(F)(F)F.
What is the InChIKey of N-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZHSDWTXGWUGFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2S/c15-14(16,17)11-8-4-7-10(13-18-21-22-19-13)12(11)25(23,24)20-9-5-2-1-3-6-9/h4,7-9,20H,1-3,5-6H2,(H,18,19,21,22).
What are the key properties of N-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
N-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 375.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118257032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).