N-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide

C17H22N2O2S — CID 110362891

IUPACN-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C17H22N2O2S/c1-2-3-13-22(20,21)19-14-16(15-9-5-4-6-10-15)17-11-7-8-12-18-17/h4-12,16,19H,2-3,13-14H2,1H3
InChIKeyYMJAGYXEHUDRET-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.93
Rot. Bonds8

About N-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide

N-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide (PubChem CID 110362891) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide
PubChem CID110362891
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C17H22N2O2S/c1-2-3-13-22(20,21)19-14-16(15-9-5-4-6-10-15)17-11-7-8-12-18-17/h4-12,16,19H,2-3,13-14H2,1H3
InChIKeyYMJAGYXEHUDRET-UHFFFAOYSA-N
XLogP2.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide
CID 110362944
N-[2-(2-methylphenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide
CID 110362932
N-(2-phenyl-2-pyridin-2-ylethyl)methanesulfonamide
CID 16929296
N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]pentanamide
CID 16927840
N-(2-phenyl-2-pyridin-2-ylethyl)acetamide
CID 16927789
N-(2,2-diphenylethyl)pyridine-2-sulfonamide
CID 135085971
N-[2,2-bis(furan-2-yl)ethyl]butane-1-sulfonamide
CID 131702580
N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide
CID 78980226
(2-butylsulfonyl-1-phenylethyl)benzene
CID 58218103
N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide
CID 111466269
N-[2-(butylsulfonylamino)-1-phenylethyl]quinoline-6-carboxamide
CID 69277574
N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide?
The IUPAC name of N-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide (CID 110362891) is N-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide?
The canonical SMILES for N-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCC(c1ccccc1)c1ccccn1.
What is the InChIKey of N-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide?
The InChIKey is YMJAGYXEHUDRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-2-3-13-22(20,21)19-14-16(15-9-5-4-6-10-15)17-11-7-8-12-18-17/h4-12,16,19H,2-3,13-14H2,1H3.
What are the key properties of N-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide?
N-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide is sourced from PubChem (CID 110362891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).