2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide

C21H25ClN2O3S — CID 42145597

IUPAC2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(c3ccccc3)CC2)c1
InChIInChI=1S/C21H25ClN2O3S/c1-3-24(4-2)28(26,27)17-10-11-19(22)18(14-17)20(25)23-15-21(12-13-21)16-8-6-5-7-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,23,25)
InChIKeyWOEUUFIXVLIERS-UHFFFAOYSA-N
MW420.96 g/mol
LogP3.83
Rot. Bonds8

About 2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide

2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide (PubChem CID 42145597) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
PubChem CID42145597
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(c3ccccc3)CC2)c1
InChIInChI=1S/C21H25ClN2O3S/c1-3-24(4-2)28(26,27)17-10-11-19(22)18(14-17)20(25)23-15-21(12-13-21)16-8-6-5-7-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,23,25)
InChIKeyWOEUUFIXVLIERS-UHFFFAOYSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(diethylsulfamoyl)-2-fluoro-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 46424060
4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 41288116
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
2-chloro-5-(diethylsulfamoyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 9119785
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide
CID 16602020
2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide
CID 27828585
2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide
CID 60566384
2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 2677242
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 55716614

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide (CID 42145597) is 2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(c3ccccc3)CC2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide?
The InChIKey is WOEUUFIXVLIERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-3-24(4-2)28(26,27)17-10-11-19(22)18(14-17)20(25)23-15-21(12-13-21)16-8-6-5-7-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,23,25).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide?
2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide has a molecular weight of 420.96 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 42145597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).