3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide

C18H22ClN3O3S — CID 119433918

IUPAC3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C18H22ClN3O3S/c1-13-7-8-14(18(23)21-10-4-9-20-2)11-17(13)26(24,25)22-16-6-3-5-15(19)12-16/h3,5-8,11-12,20,22H,4,9-10H2,1-2H3,(H,21,23)
InChIKeyDCNNWAIAYJFXTR-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.79
Rot. Bonds8

About 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide

3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide (PubChem CID 119433918) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide
PubChem CID119433918
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C18H22ClN3O3S/c1-13-7-8-14(18(23)21-10-4-9-20-2)11-17(13)26(24,25)22-16-6-3-5-15(19)12-16/h3,5-8,11-12,20,22H,4,9-10H2,1-2H3,(H,21,23)
InChIKeyDCNNWAIAYJFXTR-UHFFFAOYSA-N
XLogP2.79
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-5-(dimethylaminocarbamoyl)-2-methylbenzenesulfonamide
CID 9163777
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503479
3-[[3-[(3-chlorophenyl)sulfamoyl]phenyl]sulfamoyl]-4-methylbenzoic acid
CID 24502076
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719
N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 9314553
N-[2-(ethylamino)ethyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119506523
4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393533
4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
CID 126415696
N-(2-amino-2-methylpropyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119627677
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-6-methylpyridine-3-carboxamide
CID 38020627
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide (CID 119433918) is 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide is CNCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide?
The InChIKey is DCNNWAIAYJFXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-13-7-8-14(18(23)21-10-4-9-20-2)11-17(13)26(24,25)22-16-6-3-5-15(19)12-16/h3,5-8,11-12,20,22H,4,9-10H2,1-2H3,(H,21,23).
What are the key properties of 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide?
3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide has a molecular weight of 395.91 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[3-(methylamino)propyl]benzamide is sourced from PubChem (CID 119433918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).