N-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide

C17H22FNO2S — CID 112823935

IUPACN-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22FNO2S/c1-10-2-3-15(18)9-16(10)22(20,21)19-17-13-5-11-4-12(7-13)8-14(17)6-11/h2-3,9,11-14,17,19H,4-8H2,1H3
InChIKeyZHHBELPILBGZAN-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.24
Rot. Bonds3

About N-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide

N-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 112823935) has the molecular formula C17H22FNO2S and a molecular weight of 323.43 g/mol. Its IUPAC name is N-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID112823935
Molecular FormulaC17H22FNO2S
Molecular Weight323.43 g/mol
Exact Mass323.14
IUPAC NameN-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22FNO2S/c1-10-2-3-15(18)9-16(10)22(20,21)19-17-13-5-11-4-12(7-13)8-14(17)6-11/h2-3,9,11-14,17,19H,4-8H2,1H3
InChIKeyZHHBELPILBGZAN-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-adamantyl)-2-fluorobenzenesulfonamide
CID 60652258
N-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide
CID 114632566
N-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 43653558
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide
CID 100690195
5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630411
5-fluoro-2-methyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630415
N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide
CID 47190028
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide
CID 106367588
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64818376
5-fluoro-2-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 6976095
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide
CID 71871357

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide (CID 112823935) is N-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is ZHHBELPILBGZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2S/c1-10-2-3-15(18)9-16(10)22(20,21)19-17-13-5-11-4-12(7-13)8-14(17)6-11/h2-3,9,11-14,17,19H,4-8H2,1H3.
What are the key properties of N-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide?
N-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 323.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 112823935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).