4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide

C18H23N3O3S — CID 109057932

IUPAC4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-4-13-19-18(22)14-5-11-17(12-6-14)25(23,24)20-15-7-9-16(10-8-15)21(2)3/h5-12,20H,4,13H2,1-3H3,(H,19,22)
InChIKeyDYKXEYCQUFIQCK-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.69
Rot. Bonds7

About 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide

4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide (PubChem CID 109057932) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide
PubChem CID109057932
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-4-13-19-18(22)14-5-11-17(12-6-14)25(23,24)20-15-7-9-16(10-8-15)21(2)3/h5-12,20H,4,13H2,1-3H3,(H,19,22)
InChIKeyDYKXEYCQUFIQCK-UHFFFAOYSA-N
XLogP2.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
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

4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide
CID 109058890
N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide
CID 109059086
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide
CID 108574896
N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide
CID 109058620
N-butyl-4-(phenylsulfamoyl)benzamide
CID 18106255
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547
4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide
CID 3291122
N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 109060264
4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 18104911
4-[methyl(methylsulfonyl)amino]-N-propylbenzamide
CID 53279666
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46819760

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide (CID 109057932) is 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide is CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide?
The InChIKey is DYKXEYCQUFIQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-13-19-18(22)14-5-11-17(12-6-14)25(23,24)20-15-7-9-16(10-8-15)21(2)3/h5-12,20H,4,13H2,1-3H3,(H,19,22).
What are the key properties of 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide?
4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide has a molecular weight of 361.47 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide is sourced from PubChem (CID 109057932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).