2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide

C16H16Cl2N2O3S — CID 110293779

IUPAC2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCCNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c17-12-5-8-14(15(18)10-12)16(21)20-9-1-2-11-3-6-13(7-4-11)24(19,22)23/h3-8,10H,1-2,9H2,(H,20,21)(H2,19,22,23)
InChIKeyXYQUZNDPRAPWOQ-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.00
Rot. Bonds6

About 2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide

2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide (PubChem CID 110293779) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
PubChem CID110293779
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCCNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c17-12-5-8-14(15(18)10-12)16(21)20-9-1-2-11-3-6-13(7-4-11)24(19,22)23/h3-8,10H,1-2,9H2,(H,20,21)(H2,19,22,23)
InChIKeyXYQUZNDPRAPWOQ-UHFFFAOYSA-N
XLogP3.00
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293759
2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293770
2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide
CID 30125531
1-[3-(2,4-dichlorophenyl)propyl]-2-methyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111720430
2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744
3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 110310771
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
2,4-dichloro-N-nonylbenzamide
CID 3596264
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2,4-dichloro-N-pent-4-ynylbenzamide
CID 103709106
2,4-dichloro-N-(4-methylpentyl)benzamide
CID 3288141
2-(3,4-dichlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4784267

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide (CID 110293779) is 2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide is NS(=O)(=O)c1ccc(CCCNC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide?
The InChIKey is XYQUZNDPRAPWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c17-12-5-8-14(15(18)10-12)16(21)20-9-1-2-11-3-6-13(7-4-11)24(19,22)23/h3-8,10H,1-2,9H2,(H,20,21)(H2,19,22,23).
What are the key properties of 2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide?
2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide has a molecular weight of 387.29 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide is sourced from PubChem (CID 110293779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).