4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide

C17H18Cl2N2O4S — CID 31540732

IUPAC4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O4S/c1-25-10-2-9-20-17(22)12-3-6-14(7-4-12)21-26(23,24)16-11-13(18)5-8-15(16)19/h3-8,11,21H,2,9-10H2,1H3,(H,20,22)
InChIKeyVQDCGIURNWKGDM-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.56
Rot. Bonds8

About 4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide

4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide (PubChem CID 31540732) has the molecular formula C17H18Cl2N2O4S and a molecular weight of 417.31 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
PubChem CID31540732
Molecular FormulaC17H18Cl2N2O4S
Molecular Weight417.31 g/mol
Exact Mass416.04
IUPAC Name4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O4S/c1-25-10-2-9-20-17(22)12-3-6-14(7-4-12)21-26(23,24)16-11-13(18)5-8-15(16)19/h3-8,11,21H,2,9-10H2,1H3,(H,20,22)
InChIKeyVQDCGIURNWKGDM-UHFFFAOYSA-N
XLogP3.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.56
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-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 3629479
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593242
4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 24540699
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxypropyl)benzamide
CID 78803253
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
CID 24540698
4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 55349910
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 126392529
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 2842703
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
CID 126415696

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide (CID 31540732) is 4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide?
The InChIKey is VQDCGIURNWKGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4S/c1-25-10-2-9-20-17(22)12-3-6-14(7-4-12)21-26(23,24)16-11-13(18)5-8-15(16)19/h3-8,11,21H,2,9-10H2,1H3,(H,20,22).
What are the key properties of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide?
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide has a molecular weight of 417.31 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 31540732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).