2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide

C16H16Cl2N2O3S — CID 33340835

IUPAC2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-11-2-5-13(6-3-11)24(22,23)20-9-8-19-16(21)14-7-4-12(17)10-15(14)18/h2-7,10,20H,8-9H2,1H3,(H,19,21)
InChIKeyXBMRPXLVXSQNKW-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.01
Rot. Bonds6

About 2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide

2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide (PubChem CID 33340835) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
PubChem CID33340835
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-11-2-5-13(6-3-11)24(22,23)20-9-8-19-16(21)14-7-4-12(17)10-15(14)18/h2-7,10,20H,8-9H2,1H3,(H,19,21)
InChIKeyXBMRPXLVXSQNKW-UHFFFAOYSA-N
XLogP3.01
TPSA75.27 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 ≤ 53.01
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-[2-[(4-methylphenyl)sulfonylamino]ethyl]-5-nitrobenzamide
CID 33340755
3,4-dihydroxy-7-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-5-oxocyclohepta-1,3,6-triene-1-carboxamide
CID 167623126
2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 35352252
2,4-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4778992
5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide
CID 108572214
2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide
CID 33429076
2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 33430634
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide
CID 30125531
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573745
2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide
CID 108537980

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide (CID 33340835) is 2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide is Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is XBMRPXLVXSQNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-11-2-5-13(6-3-11)24(22,23)20-9-8-19-16(21)14-7-4-12(17)10-15(14)18/h2-7,10,20H,8-9H2,1H3,(H,19,21).
What are the key properties of 2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide?
2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide has a molecular weight of 387.29 g/mol, XLogP of 3.01, 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-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 33340835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).