4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide

C21H27ClN2O3S — CID 39698452

IUPAC4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCC(C)(C)c2ccccc2)ccc1Cl
InChIInChI=1S/C21H27ClN2O3S/c1-5-24(6-2)28(26,27)19-14-16(12-13-18(19)22)20(25)23-15-21(3,4)17-10-8-7-9-11-17/h7-14H,5-6,15H2,1-4H3,(H,23,25)
InChIKeyFUNFRIKKLPRLDE-UHFFFAOYSA-N
MW422.98 g/mol
LogP4.08
Rot. Bonds8

About 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide

4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide (PubChem CID 39698452) has the molecular formula C21H27ClN2O3S and a molecular weight of 422.98 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide
PubChem CID39698452
Molecular FormulaC21H27ClN2O3S
Molecular Weight422.98 g/mol
Exact Mass422.14
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCC(C)(C)c2ccccc2)ccc1Cl
InChIInChI=1S/C21H27ClN2O3S/c1-5-24(6-2)28(26,27)19-14-16(12-13-18(19)22)20(25)23-15-21(3,4)17-10-8-7-9-11-17/h7-14H,5-6,15H2,1-4H3,(H,23,25)
InChIKeyFUNFRIKKLPRLDE-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide
CID 4876896
4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide
CID 6915635
1-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-3-(2-phenylethyl)thiourea
CID 26838157
4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 60538447
4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 134013903
4-(diethylsulfamoyl)-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111975
4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 2678518
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510458
3,4-dimethyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 113090275

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide (CID 39698452) is 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCC(C)(C)c2ccccc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide?
The InChIKey is FUNFRIKKLPRLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3S/c1-5-24(6-2)28(26,27)19-14-16(12-13-18(19)22)20(25)23-15-21(3,4)17-10-8-7-9-11-17/h7-14H,5-6,15H2,1-4H3,(H,23,25).
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide?
4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide has a molecular weight of 422.98 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide is sourced from PubChem (CID 39698452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).