3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide

C18H23N3O3S — CID 109062218

IUPAC3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H23N3O3S/c1-13(2)19-18(22)14-6-5-7-17(12-14)25(23,24)20-15-8-10-16(11-9-15)21(3)4/h5-13,20H,1-4H3,(H,19,22)
InChIKeyZUDOGMPSGAISKM-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.69
Rot. Bonds6

About 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide

3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide (PubChem CID 109062218) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide
PubChem CID109062218
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H23N3O3S/c1-13(2)19-18(22)14-6-5-7-17(12-14)25(23,24)20-15-8-10-16(11-9-15)21(3)4/h5-13,20H,1-4H3,(H,19,22)
InChIKeyZUDOGMPSGAISKM-UHFFFAOYSA-N
XLogP2.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062181
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 109065116
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062198
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 27648289
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9410285
N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 78856434
3-[(4-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 132654290
3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
CID 46663760
N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide
CID 109059086

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide (CID 109062218) is 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide?
The InChIKey is ZUDOGMPSGAISKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13(2)19-18(22)14-6-5-7-17(12-14)25(23,24)20-15-8-10-16(11-9-15)21(3)4/h5-13,20H,1-4H3,(H,19,22).
What are the key properties of 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide?
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide has a molecular weight of 361.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 109062218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).