[(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium

C17H22NO2S+ — CID 9168569

IUPAC[(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium
SMILESCC(C)c1ccc([C@H](C[NH3+])S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-13(2)14-8-10-15(11-9-14)17(12-18)21(19,20)16-6-4-3-5-7-16/h3-11,13,17H,12,18H2,1-2H3/p+1/t17-/m0/s1
InChIKeyDYLMZBSIKIIWHV-KRWDZBQOSA-O
MW304.44 g/mol
LogP2.57
Rot. Bonds5

About [(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium

[(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium (PubChem CID 9168569) has the molecular formula C17H22NO2S+ and a molecular weight of 304.44 g/mol. Its IUPAC name is [(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium.

Molecular Properties

Compound Name[(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium
PubChem CID9168569
Molecular FormulaC17H22NO2S+
Molecular Weight304.44 g/mol
Exact Mass304.14
IUPAC Name[(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium
SMILESCC(C)c1ccc([C@H](C[NH3+])S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-13(2)14-8-10-15(11-9-14)17(12-18)21(19,20)16-6-4-3-5-7-16/h3-11,13,17H,12,18H2,1-2H3/p+1/t17-/m0/s1
InChIKeyDYLMZBSIKIIWHV-KRWDZBQOSA-O
XLogP2.57
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylphenyl)ethyl]azanium
CID 9168606
[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium
CID 9161761
(3S)-3-(benzenesulfonyl)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 1368123
[(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium
CID 9161906
(2R)-2-(benzenesulfonyl)-2-phenylethanamine
CID 9161755
[(2R)-2-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)sulfonylethyl]azanium
CID 9168510
[(2R)-2-(benzenesulfonyl)-2-[2-(trifluoromethyl)phenyl]ethyl]azanium
CID 9167976
(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
CID 9161767
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide
CID 9184545
2-nitro-2-(4-propan-2-ylphenyl)sulfonylacetic acid
CID 58962100
1-[2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzene
CID 11313696
[3-(benzenesulfonyl)-3-phenylpropyl]benzene
CID 174743657

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium?
The IUPAC name of [(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium (CID 9168569) is [(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium.
What is the SMILES notation for [(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium?
The canonical SMILES for [(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium is CC(C)c1ccc([C@H](C[NH3+])S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium?
The InChIKey is DYLMZBSIKIIWHV-KRWDZBQOSA-O. The full InChI is InChI=1S/C17H21NO2S/c1-13(2)14-8-10-15(11-9-14)17(12-18)21(19,20)16-6-4-3-5-7-16/h3-11,13,17H,12,18H2,1-2H3/p+1/t17-/m0/s1.
What are the key properties of [(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium?
[(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium has a molecular weight of 304.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)ethyl]azanium is sourced from PubChem (CID 9168569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).