4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide

C17H21N3O3S — CID 56806765

IUPAC4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1
InChIInChI=1S/C17H21N3O3S/c1-12-4-8-15(9-5-12)24(22,23)19-16-10-13(17(18)21)6-7-14(16)11-20(2)3/h4-10,19H,11H2,1-3H3,(H2,18,21)
InChIKeyUTURINVBQZXNQX-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.96
Rot. Bonds6

About 4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide

4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 56806765) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID56806765
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1
InChIInChI=1S/C17H21N3O3S/c1-12-4-8-15(9-5-12)24(22,23)19-16-10-13(17(18)21)6-7-14(16)11-20(2)3/h4-10,19H,11H2,1-3H3,(H2,18,21)
InChIKeyUTURINVBQZXNQX-UHFFFAOYSA-N
XLogP1.96
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 27187010
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
4-methyl-3-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide
CID 169371146
4-(diethylamino)-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 50767053
3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide
CID 71967989
N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28570514
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9227970
N-(5-bromo-2-ethylphenyl)-4-methylbenzenesulfonamide
CID 169372007
N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062594
ethane;methyl 3,4-bis[(4-methylphenyl)sulfonylamino]benzoate
CID 144649558
4-[2-[(4-methylphenyl)sulfonylamino]phenoxy]benzamide
CID 169372806
4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 169370448

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 56806765) is 4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2CN(C)C)cc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is UTURINVBQZXNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-4-8-15(9-5-12)24(22,23)19-16-10-13(17(18)21)6-7-14(16)11-20(2)3/h4-10,19H,11H2,1-3H3,(H2,18,21).
What are the key properties of 4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 347.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 56806765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).