N-[2-(2-methylphenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide

C18H24N2O2S — CID 110362932

IUPACN-[2-(2-methylphenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(c1ccccn1)c1ccccc1C
InChIInChI=1S/C18H24N2O2S/c1-3-4-13-23(21,22)20-14-17(18-11-7-8-12-19-18)16-10-6-5-9-15(16)2/h5-12,17,20H,3-4,13-14H2,1-2H3
InChIKeyQIRICFMMWCMYLG-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.24
Rot. Bonds8

About N-[2-(2-methylphenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide

N-[2-(2-methylphenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide (PubChem CID 110362932) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide
PubChem CID110362932
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[2-(2-methylphenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(c1ccccn1)c1ccccc1C
InChIInChI=1S/C18H24N2O2S/c1-3-4-13-23(21,22)20-14-17(18-11-7-8-12-19-18)16-10-6-5-9-15(16)2/h5-12,17,20H,3-4,13-14H2,1-2H3
InChIKeyQIRICFMMWCMYLG-UHFFFAOYSA-N
XLogP3.24
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide
CID 110362891
N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide
CID 110362944
N-(2-phenyl-2-pyridin-2-ylethyl)methanesulfonamide
CID 16929296
N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]butane-1-sulfonamide
CID 110440605
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-(2-methylphenyl)-2-pyridin-2-ylacetic acid
CID 82040348
N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]pentanamide
CID 16927840
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide
CID 60568297
2-[(2-methylphenyl)-phenylmethyl]pyridine
CID 170986908
2-(2-fluorophenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 116824647
1-(2-methylphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43203224

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(2-methylphenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide (CID 110362932) is N-[2-(2-methylphenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-methylphenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(2-methylphenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC(c1ccccn1)c1ccccc1C.
What is the InChIKey of N-[2-(2-methylphenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide?
The InChIKey is QIRICFMMWCMYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-3-4-13-23(21,22)20-14-17(18-11-7-8-12-19-18)16-10-6-5-9-15(16)2/h5-12,17,20H,3-4,13-14H2,1-2H3.
What are the key properties of N-[2-(2-methylphenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide?
N-[2-(2-methylphenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide has a molecular weight of 332.47 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide is sourced from PubChem (CID 110362932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).