7-methyl-N-[4-(trifluoromethyl)phenyl]spiro[3.5]nonane-3-sulfonamide

C17H22F3NO2S — CID 155221382

IUPAC7-methyl-N-[4-(trifluoromethyl)phenyl]spiro[3.5]nonane-3-sulfonamide
SMILESCC1CCC2(CC1)CCC2S(=O)(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H22F3NO2S/c1-12-6-9-16(10-7-12)11-8-15(16)24(22,23)21-14-4-2-13(3-5-14)17(18,19)20/h2-5,12,15,21H,6-11H2,1H3
InChIKeyTZZXYNWWKVPOBB-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.81
Rot. Bonds3

About 7-methyl-N-[4-(trifluoromethyl)phenyl]spiro[3.5]nonane-3-sulfonamide

7-methyl-N-[4-(trifluoromethyl)phenyl]spiro[3.5]nonane-3-sulfonamide (PubChem CID 155221382) has the molecular formula C17H22F3NO2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 7-methyl-N-[4-(trifluoromethyl)phenyl]spiro[3.5]nonane-3-sulfonamide.

Molecular Properties

Compound Name7-methyl-N-[4-(trifluoromethyl)phenyl]spiro[3.5]nonane-3-sulfonamide
PubChem CID155221382
Molecular FormulaC17H22F3NO2S
Molecular Weight361.43 g/mol
Exact Mass361.13
IUPAC Name7-methyl-N-[4-(trifluoromethyl)phenyl]spiro[3.5]nonane-3-sulfonamide
SMILESCC1CCC2(CC1)CCC2S(=O)(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H22F3NO2S/c1-12-6-9-16(10-7-12)11-8-15(16)24(22,23)21-14-4-2-13(3-5-14)17(18,19)20/h2-5,12,15,21H,6-11H2,1H3
InChIKeyTZZXYNWWKVPOBB-UHFFFAOYSA-N
XLogP4.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[4-(trifluoromethyl)phenyl]spiro[3.5]nonane-3-sulfonamide?
The IUPAC name of 7-methyl-N-[4-(trifluoromethyl)phenyl]spiro[3.5]nonane-3-sulfonamide (CID 155221382) is 7-methyl-N-[4-(trifluoromethyl)phenyl]spiro[3.5]nonane-3-sulfonamide.
What is the SMILES notation for 7-methyl-N-[4-(trifluoromethyl)phenyl]spiro[3.5]nonane-3-sulfonamide?
The canonical SMILES for 7-methyl-N-[4-(trifluoromethyl)phenyl]spiro[3.5]nonane-3-sulfonamide is CC1CCC2(CC1)CCC2S(=O)(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 7-methyl-N-[4-(trifluoromethyl)phenyl]spiro[3.5]nonane-3-sulfonamide?
The InChIKey is TZZXYNWWKVPOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO2S/c1-12-6-9-16(10-7-12)11-8-15(16)24(22,23)21-14-4-2-13(3-5-14)17(18,19)20/h2-5,12,15,21H,6-11H2,1H3.
What are the key properties of 7-methyl-N-[4-(trifluoromethyl)phenyl]spiro[3.5]nonane-3-sulfonamide?
7-methyl-N-[4-(trifluoromethyl)phenyl]spiro[3.5]nonane-3-sulfonamide has a molecular weight of 361.43 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[4-(trifluoromethyl)phenyl]spiro[3.5]nonane-3-sulfonamide is sourced from PubChem (CID 155221382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).