N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide

C17H19NO3S — CID 112838625

IUPACN-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H19NO3S/c1-4-17(19)14-6-5-7-16(11-14)22(20,21)18-15-9-8-12(2)13(3)10-15/h5-11,18H,4H2,1-3H3
InChIKeyCRSWYCCWCUDWLS-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.70
Rot. Bonds5

About N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide

N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide (PubChem CID 112838625) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide
PubChem CID112838625
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H19NO3S/c1-4-17(19)14-6-5-7-16(11-14)22(20,21)18-15-9-8-12(2)13(3)10-15/h5-11,18H,4H2,1-3H3
InChIKeyCRSWYCCWCUDWLS-UHFFFAOYSA-N
XLogP3.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide
CID 112838618
N-butan-2-yl-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 109063056
3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 112838614
3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 109065745
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(methylsulfamoyl)benzamide
CID 31307957
N-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide
CID 35538189
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide
CID 60873792
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064949
N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677166
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064830
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide (CID 112838625) is N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide?
The InChIKey is CRSWYCCWCUDWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-4-17(19)14-6-5-7-16(11-14)22(20,21)18-15-9-8-12(2)13(3)10-15/h5-11,18H,4H2,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide?
N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 112838625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).