N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide

C18H22N2O3S — CID 171822680

IUPACN,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1C
InChIInChI=1S/C18H22N2O3S/c1-12-9-14(3)17(10-13(12)2)24(22,23)19-16-8-6-7-15(11-16)18(21)20(4)5/h6-11,19H,1-5H3
InChIKeyGGERPAMMUWHHAT-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.11
Rot. Bonds4

About N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide

N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide (PubChem CID 171822680) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
PubChem CID171822680
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1C
InChIInChI=1S/C18H22N2O3S/c1-12-9-14(3)17(10-13(12)2)24(22,23)19-16-8-6-7-15(11-16)18(21)20(4)5/h6-11,19H,1-5H3
InChIKeyGGERPAMMUWHHAT-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629318
3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoate
CID 7720276
3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629332
3-[[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]amino]-N,N-dimethylbenzamide
CID 46520009
2,4,5-trimethyl-N-phenylbenzenesulfonamide
CID 35725783
methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 24629326
3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629312
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543
N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide
CID 24629243
3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629283
3-[4-methoxy-3-[[3-(methylamino)phenyl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
CID 135173375
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629266

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide (CID 171822680) is N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1C.
What is the InChIKey of N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
The InChIKey is GGERPAMMUWHHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-9-14(3)17(10-13(12)2)24(22,23)19-16-8-6-7-15(11-16)18(21)20(4)5/h6-11,19H,1-5H3.
What are the key properties of N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide?
N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 171822680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).