2,4-dichloro-N-(3-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide

C18H20Cl2N2O3S — CID 78782572

IUPAC2,4-dichloro-N-(3-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)c1
InChIInChI=1S/C18H20Cl2N2O3S/c1-11(2)10-21-26(24,25)17-8-14(15(19)9-16(17)20)18(23)22-13-6-4-5-12(3)7-13/h4-9,11,21H,10H2,1-3H3,(H,22,23)
InChIKeyQBTPFIMYSKFGIA-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.49
Rot. Bonds6

About 2,4-dichloro-N-(3-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide

2,4-dichloro-N-(3-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide (PubChem CID 78782572) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide
PubChem CID78782572
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name2,4-dichloro-N-(3-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)c1
InChIInChI=1S/C18H20Cl2N2O3S/c1-11(2)10-21-26(24,25)17-8-14(15(19)9-16(17)20)18(23)22-13-6-4-5-12(3)7-13/h4-9,11,21H,10H2,1-3H3,(H,22,23)
InChIKeyQBTPFIMYSKFGIA-UHFFFAOYSA-N
XLogP4.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
2,4-dichloro-5-(2-methylpropylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78785955
2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide
CID 78816219
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1055767
acetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide
CID 90484937
N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 33156080
2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 1105127
2,4-dichloro-N-(2,4-dimethylphenyl)-5-(propan-2-ylsulfamoyl)benzamide
CID 19257662
4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
2,4-dichloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide
CID 2996026

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(3-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide (CID 78782572) is 2,4-dichloro-N-(3-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(3-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide is Cc1cccc(NC(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-(3-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is QBTPFIMYSKFGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-11(2)10-21-26(24,25)17-8-14(15(19)9-16(17)20)18(23)22-13-6-4-5-12(3)7-13/h4-9,11,21H,10H2,1-3H3,(H,22,23).
What are the key properties of 2,4-dichloro-N-(3-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide?
2,4-dichloro-N-(3-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 415.34 g/mol, XLogP of 4.49, 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-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 78782572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).