N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide

C17H22N2O2S — CID 25046012

IUPACN-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide
SMILESCC(CCc1ccccc1)NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C17H22N2O2S/c1-15(10-11-16-7-3-2-4-8-16)19-22(20,21)14-12-17-9-5-6-13-18-17/h2-9,13,15,19H,10-12,14H2,1H3
InChIKeyDHBJCBFXNLLKHH-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.56
Rot. Bonds8

About N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide

N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 25046012) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide
PubChem CID25046012
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide
SMILESCC(CCc1ccccc1)NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C17H22N2O2S/c1-15(10-11-16-7-3-2-4-8-16)19-22(20,21)14-12-17-9-5-6-13-18-17/h2-9,13,15,19H,10-12,14H2,1H3
InChIKeyDHBJCBFXNLLKHH-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid
CID 82854201
N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 62093173
3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid
CID 43361780
2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid
CID 60865090
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
N-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 61133014
3,3-dimethyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 60864746
N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 114298456
2-(2-pyridin-2-ylethylsulfonylamino)-4-sulfanylbutanoic acid
CID 114212692
(2R)-4-methylsulfanyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 104906602
N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide
CID 80688482
N-[(1S)-1-naphthalen-2-ylethyl]-2-pyridin-2-ylethanesulfonamide
CID 25038859

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide (CID 25046012) is N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide is CC(CCc1ccccc1)NS(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is DHBJCBFXNLLKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-15(10-11-16-7-3-2-4-8-16)19-22(20,21)14-12-17-9-5-6-13-18-17/h2-9,13,15,19H,10-12,14H2,1H3.
What are the key properties of N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide?
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 25046012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).