4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide

C21H27ClN2O3S — CID 6915635

IUPAC4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)CCc2ccccc2)ccc1Cl
InChIInChI=1S/C21H27ClN2O3S/c1-4-24(5-2)28(26,27)20-15-18(13-14-19(20)22)21(25)23-16(3)11-12-17-9-7-6-8-10-17/h6-10,13-16H,4-5,11-12H2,1-3H3,(H,23,25)
InChIKeyXEEQQVNEPUBMSB-UHFFFAOYSA-N
MW422.98 g/mol
LogP4.12
Rot. Bonds9

About 4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide

4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 6915635) has the molecular formula C21H27ClN2O3S and a molecular weight of 422.98 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide
PubChem CID6915635
Molecular FormulaC21H27ClN2O3S
Molecular Weight422.98 g/mol
Exact Mass422.14
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)CCc2ccccc2)ccc1Cl
InChIInChI=1S/C21H27ClN2O3S/c1-4-24(5-2)28(26,27)20-15-18(13-14-19(20)22)21(25)23-16(3)11-12-17-9-7-6-8-10-17/h6-10,13-16H,4-5,11-12H2,1-3H3,(H,23,25)
InChIKeyXEEQQVNEPUBMSB-UHFFFAOYSA-N
XLogP4.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-3-(2-phenylethyl)thiourea
CID 26838157
4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide
CID 4876896
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 2678518
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide
CID 39698452
4-chloro-3-nitro-N-(4-phenylbutan-2-yl)benzamide
CID 3377571
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40976060
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide
CID 55594718
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chloro-3-(diethylsulfamoyl)benzamide
CID 129376494

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide (CID 6915635) is 4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)CCc2ccccc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is XEEQQVNEPUBMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3S/c1-4-24(5-2)28(26,27)20-15-18(13-14-19(20)22)21(25)23-16(3)11-12-17-9-7-6-8-10-17/h6-10,13-16H,4-5,11-12H2,1-3H3,(H,23,25).
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide?
4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 422.98 g/mol, XLogP of 4.12, 9 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-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 6915635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).