N-(4-methylphenyl)sulfonylpentanamide

C12H17NO3S — CID 44576801

IUPACN-(4-methylphenyl)sulfonylpentanamide
SMILESCCCCC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO3S/c1-3-4-5-12(14)13-17(15,16)11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3,(H,13,14)
InChIKeyXHKOPSVYZOFHEV-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.99
Rot. Bonds5

About N-(4-methylphenyl)sulfonylpentanamide

N-(4-methylphenyl)sulfonylpentanamide (PubChem CID 44576801) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonylpentanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonylpentanamide
PubChem CID44576801
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-(4-methylphenyl)sulfonylpentanamide
SMILESCCCCC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO3S/c1-3-4-5-12(14)13-17(15,16)11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3,(H,13,14)
InChIKeyXHKOPSVYZOFHEV-UHFFFAOYSA-N
XLogP1.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Butyl-p-toluenesulfonamide
CID 61285
N-(4-methylphenyl)sulfonylcyclohexanecarboxamide
CID 4879102
cyclohexyl-N-{[(4-methylphenyl)sulfonyl]amino}carboxamide
CID 3139318
2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
CID 11099458
2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 889524
Tosylurea
CID 74327
N-(tert-butyl)-4-{methyl[(4-methylphenyl)sulfonyl]amino}butanamide
CID 2136205
N,N-dimethyl-6-{[(4-methylphenyl)sulfonyl]amino}hexanamide
CID 3244659
N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 977781
N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 2209143
N-(tert-Butyl)-p-toluenesulfonamide
CID 246472
N-((4-Methylphenyl)sulfonyl)acetamide
CID 286222

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonylpentanamide?
The IUPAC name of N-(4-methylphenyl)sulfonylpentanamide (CID 44576801) is N-(4-methylphenyl)sulfonylpentanamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonylpentanamide?
The canonical SMILES for N-(4-methylphenyl)sulfonylpentanamide is CCCCC(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonylpentanamide?
The InChIKey is XHKOPSVYZOFHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-4-5-12(14)13-17(15,16)11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3,(H,13,14).
What are the key properties of N-(4-methylphenyl)sulfonylpentanamide?
N-(4-methylphenyl)sulfonylpentanamide has a molecular weight of 255.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonylpentanamide is sourced from PubChem (CID 44576801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).