N-[3-(4-methylpentanoyl)phenyl]pyridine-3-sulfonamide

C17H20N2O3S — CID 153033786

IUPACN-[3-(4-methylpentanoyl)phenyl]pyridine-3-sulfonamide
SMILESCC(C)CCC(=O)c1cccc(NS(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C17H20N2O3S/c1-13(2)8-9-17(20)14-5-3-6-15(11-14)19-23(21,22)16-7-4-10-18-12-16/h3-7,10-13,19H,8-9H2,1-2H3
InChIKeyVEHXXJLRNLVBJN-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.50
Rot. Bonds7

About N-[3-(4-methylpentanoyl)phenyl]pyridine-3-sulfonamide

N-[3-(4-methylpentanoyl)phenyl]pyridine-3-sulfonamide (PubChem CID 153033786) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[3-(4-methylpentanoyl)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-methylpentanoyl)phenyl]pyridine-3-sulfonamide
PubChem CID153033786
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[3-(4-methylpentanoyl)phenyl]pyridine-3-sulfonamide
SMILESCC(C)CCC(=O)c1cccc(NS(=O)(=O)c2cccnc2)c1
InChIInChI=1S/C17H20N2O3S/c1-13(2)8-9-17(20)14-5-3-6-15(11-14)19-23(21,22)16-7-4-10-18-12-16/h3-7,10-13,19H,8-9H2,1-2H3
InChIKeyVEHXXJLRNLVBJN-UHFFFAOYSA-N
XLogP3.50
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 118572866
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N-[3-(pyridin-3-ylsulfonylamino)phenyl]acetamide
CID 110865862
N-[1-[cyano(methyl)amino]-4-methyl-1-oxopentan-2-yl]-3-(pyridin-3-ylsulfonylamino)benzamide
CID 54138121
N-(3-iodophenyl)pyridine-3-sulfonamide
CID 61400317
3-(benzenesulfonamido)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86976169
N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 110865791
N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide
CID 39769711
N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 164776585
N-(3-pyrrolidin-1-ylphenyl)pyridine-3-sulfonamide
CID 75370822
N-(2-methylpropoxy)pyridine-3-sulfonamide
CID 82715021
N-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide
CID 65031220

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpentanoyl)phenyl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-(4-methylpentanoyl)phenyl]pyridine-3-sulfonamide (CID 153033786) is N-[3-(4-methylpentanoyl)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(4-methylpentanoyl)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-(4-methylpentanoyl)phenyl]pyridine-3-sulfonamide is CC(C)CCC(=O)c1cccc(NS(=O)(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-(4-methylpentanoyl)phenyl]pyridine-3-sulfonamide?
The InChIKey is VEHXXJLRNLVBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13(2)8-9-17(20)14-5-3-6-15(11-14)19-23(21,22)16-7-4-10-18-12-16/h3-7,10-13,19H,8-9H2,1-2H3.
What are the key properties of N-[3-(4-methylpentanoyl)phenyl]pyridine-3-sulfonamide?
N-[3-(4-methylpentanoyl)phenyl]pyridine-3-sulfonamide has a molecular weight of 332.43 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpentanoyl)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 153033786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).