3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide

C22H24N4O3S — CID 67665242

IUPAC3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide
SMILESCN(C)c1ccc(N(C)C(=O)c2cccc(NS(=O)(=O)c3cccc(N)c3)c2)cc1
InChIInChI=1S/C22H24N4O3S/c1-25(2)19-10-12-20(13-11-19)26(3)22(27)16-6-4-8-18(14-16)24-30(28,29)21-9-5-7-17(23)15-21/h4-15,24H,23H2,1-3H3
InChIKeyVJHLBNWQIGAYBI-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.41
Rot. Bonds6

About 3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide

3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide (PubChem CID 67665242) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide
PubChem CID67665242
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide
SMILESCN(C)c1ccc(N(C)C(=O)c2cccc(NS(=O)(=O)c3cccc(N)c3)c2)cc1
InChIInChI=1S/C22H24N4O3S/c1-25(2)19-10-12-20(13-11-19)26(3)22(27)16-6-4-8-18(14-16)24-30(28,29)21-9-5-7-17(23)15-21/h4-15,24H,23H2,1-3H3
InChIKeyVJHLBNWQIGAYBI-UHFFFAOYSA-N
XLogP3.41
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 109065745
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 109065116
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 109062218
3-amino-N-[3-chloro-4-(dimethylamino)phenyl]benzenesulfonamide
CID 61111543
N-(3-aminophenyl)-N-methyl-3-methylsulfonylbenzamide
CID 61297490
3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 134103318
3-amino-N-(3-chlorophenyl)benzenesulfonamide
CID 3828479
3-(benzenesulfonamido)-N,N-dipropylbenzamide
CID 30282516
1-[4-[(3-bromophenyl)sulfonylamino]phenyl]-1-methyl-3-phenylurea
CID 140590159
3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide
CID 63322274
N-[4-[4-(dimethylamino)anilino]phenyl]-3-methylbenzenesulfonamide
CID 112988717
3-[(3-carboxylatophenyl)sulfonylamino]benzoate
CID 4517286

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide?
The IUPAC name of 3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide (CID 67665242) is 3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide.
What is the SMILES notation for 3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide?
The canonical SMILES for 3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide is CN(C)c1ccc(N(C)C(=O)c2cccc(NS(=O)(=O)c3cccc(N)c3)c2)cc1.
What is the InChIKey of 3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide?
The InChIKey is VJHLBNWQIGAYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-25(2)19-10-12-20(13-11-19)26(3)22(27)16-6-4-8-18(14-16)24-30(28,29)21-9-5-7-17(23)15-21/h4-15,24H,23H2,1-3H3.
What are the key properties of 3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide?
3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide has a molecular weight of 424.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide is sourced from PubChem (CID 67665242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).