4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide

C19H23ClN2O4S — CID 3629479

IUPAC4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H23ClN2O4S/c1-13-5-7-16(11-14(13)2)22-27(24,25)18-12-15(6-8-17(18)20)19(23)21-9-4-10-26-3/h5-8,11-12,22H,4,9-10H2,1-3H3,(H,21,23)
InChIKeyXUTBWTNCVXPWCA-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.52
Rot. Bonds8

About 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide

4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide (PubChem CID 3629479) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
PubChem CID3629479
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H23ClN2O4S/c1-13-5-7-16(11-14(13)2)22-27(24,25)18-12-15(6-8-17(18)20)19(23)21-9-4-10-26-3/h5-8,11-12,22H,4,9-10H2,1-3H3,(H,21,23)
InChIKeyXUTBWTNCVXPWCA-UHFFFAOYSA-N
XLogP3.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 31540732
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 126416161
4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 24540699
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
CID 24540698
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 1266797
4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126413394
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 2240526
N-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126416752
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55408011

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide (CID 3629479) is 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide?
The InChIKey is XUTBWTNCVXPWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-13-5-7-16(11-14(13)2)22-27(24,25)18-12-15(6-8-17(18)20)19(23)21-9-4-10-26-3/h5-8,11-12,22H,4,9-10H2,1-3H3,(H,21,23).
What are the key properties of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide?
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide has a molecular weight of 410.92 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 3629479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).