N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide

C17H21N3O3S — CID 110356126

IUPACN-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C17H21N3O3S/c1-19(2)15-10-8-14(9-11-15)18-17(21)13-6-5-7-16(12-13)24(22,23)20(3)4/h5-12H,1-4H3,(H,18,21)
InChIKeyGPKZKFISWIPSJH-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.26
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide

N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 110356126) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID110356126
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C17H21N3O3S/c1-19(2)15-10-8-14(9-11-15)18-17(21)13-6-5-7-16(12-13)24(22,23)20(3)4/h5-12H,1-4H3,(H,18,21)
InChIKeyGPKZKFISWIPSJH-UHFFFAOYSA-N
XLogP2.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
3-(dimethylsulfamoyl)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 4800647
N-(3-bromophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2221562
3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 100624777
3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide
CID 109064040
N-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide
CID 110614688
N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063603
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-(dimethylsulfamoyl)benzamide
CID 100625475
3-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795483
3-(dimethylsulfamoyl)-N-(9H-fluoren-3-yl)benzamide
CID 8699331
N-(4-cyanophenyl)-3-[methyl-(4-methylsulfonylphenyl)sulfamoyl]benzamide
CID 90342533
N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 870378

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide (CID 110356126) is N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide is CN(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is GPKZKFISWIPSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-19(2)15-10-8-14(9-11-15)18-17(21)13-6-5-7-16(12-13)24(22,23)20(3)4/h5-12H,1-4H3,(H,18,21).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide?
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 347.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 110356126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).