3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide

C17H20N2O3S — CID 24629312

IUPAC3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C17H20N2O3S/c1-4-13-8-10-16(11-9-13)23(21,22)18-15-7-5-6-14(12-15)17(20)19(2)3/h5-12,18H,4H2,1-3H3
InChIKeyCSTXWICCPULWHP-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.75
Rot. Bonds5

About 3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide

3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide (PubChem CID 24629312) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
PubChem CID24629312
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C17H20N2O3S/c1-4-13-8-10-16(11-9-13)23(21,22)18-15-7-5-6-14(12-15)17(20)19(2)3/h5-12,18H,4H2,1-3H3
InChIKeyCSTXWICCPULWHP-UHFFFAOYSA-N
XLogP2.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 24629326
N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide
CID 24629243
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629266
4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676906
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 9227126
3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629283
N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 35933784
3-(benzenesulfonamido)-N,N-dipropylbenzamide
CID 30282516
N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 171822680
4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 7594474
3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 33437863

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide (CID 24629312) is 3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide is CCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is CSTXWICCPULWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-4-13-8-10-16(11-9-13)23(21,22)18-15-7-5-6-14(12-15)17(20)19(2)3/h5-12,18H,4H2,1-3H3.
What are the key properties of 3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 332.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 24629312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).