N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide

C19H22ClNO3S — CID 19210421

IUPACN-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide
SMILESCCCCC(=O)N(c1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO3S/c1-4-5-6-19(22)21(18-13-14(2)7-8-15(18)3)25(23,24)17-11-9-16(20)10-12-17/h7-13H,4-6H2,1-3H3
InChIKeyWWPWSTSNCOXTFH-UHFFFAOYSA-N
MW379.91 g/mol
LogP4.87
Rot. Bonds6

About N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide

N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide (PubChem CID 19210421) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide
PubChem CID19210421
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC NameN-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide
SMILESCCCCC(=O)N(c1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO3S/c1-4-5-6-19(22)21(18-13-14(2)7-8-15(18)3)25(23,24)17-11-9-16(20)10-12-17/h7-13H,4-6H2,1-3H3
InChIKeyWWPWSTSNCOXTFH-UHFFFAOYSA-N
XLogP4.87
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide
CID 19218621
N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 19218656
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218729
4-(2-bromo-4-ethylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)butanamide
CID 19219662
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210994
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)acetamide
CID 19212848
2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide
CID 19212751
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210622
2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210700
2-(2-tert-butyl-4-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide
CID 19217731
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 19220313
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 19210451

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide (CID 19210421) is N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide is CCCCC(=O)N(c1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide?
The InChIKey is WWPWSTSNCOXTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-4-5-6-19(22)21(18-13-14(2)7-8-15(18)3)25(23,24)17-11-9-16(20)10-12-17/h7-13H,4-6H2,1-3H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide?
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide has a molecular weight of 379.91 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide is sourced from PubChem (CID 19210421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).