N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide

C19H22Cl2N2O3S — CID 55915255

IUPACN-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C19H22Cl2N2O3S/c1-4-23(12-14-8-9-17(20)18(21)10-14)19(24)15-6-5-7-16(11-15)27(25,26)22-13(2)3/h5-11,13,22H,4,12H2,1-3H3
InChIKeyMRFDZZDFGDCFFI-UHFFFAOYSA-N
MW429.37 g/mol
LogP4.34
Rot. Bonds7

About N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide

N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55915255) has the molecular formula C19H22Cl2N2O3S and a molecular weight of 429.37 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID55915255
Molecular FormulaC19H22Cl2N2O3S
Molecular Weight429.37 g/mol
Exact Mass428.07
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C19H22Cl2N2O3S/c1-4-23(12-14-8-9-17(20)18(21)10-14)19(24)15-6-5-7-16(11-15)27(25,26)22-13(2)3/h5-11,13,22H,4,12H2,1-3H3
InChIKeyMRFDZZDFGDCFFI-UHFFFAOYSA-N
XLogP4.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 166323163
methyl 3-[(3,4-dichlorophenyl)methyl-ethylcarbamoyl]benzoate
CID 55915257
N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 27861535
N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide
CID 100623214
3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide
CID 109064740
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26619244
(2-chlorophenyl) 3-(propan-2-ylsulfamoyl)benzoate
CID 26698526
2-[[3-[ethyl(methyl)carbamoyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 122067792
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 26583597
N-[(3-cyanophenyl)methyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 55580715
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide
CID 56553596
3-[propan-2-yl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119207158

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide (CID 55915255) is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide is CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(S(=O)(=O)NC(C)C)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is MRFDZZDFGDCFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3S/c1-4-23(12-14-8-9-17(20)18(21)10-14)19(24)15-6-5-7-16(11-15)27(25,26)22-13(2)3/h5-11,13,22H,4,12H2,1-3H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide?
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 429.37 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55915255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).