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

C20H25ClN2O4S — CID 8960780

IUPAC4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCOc2ccccc2)ccc1Cl
InChIInChI=1S/C20H25ClN2O4S/c1-4-23(5-2)28(25,26)19-15-16(11-12-18(19)21)20(24)22(3)13-14-27-17-9-7-6-8-10-17/h6-12,15H,4-5,13-14H2,1-3H3
InChIKeyBJOIPVIEGVUQQN-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.52
Rot. Bonds9

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

4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide (PubChem CID 8960780) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
PubChem CID8960780
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCOc2ccccc2)ccc1Cl
InChIInChI=1S/C20H25ClN2O4S/c1-4-23(5-2)28(25,26)19-15-16(11-12-18(19)21)20(24)22(3)13-14-27-17-9-7-6-8-10-17/h6-12,15H,4-5,13-14H2,1-3H3
InChIKeyBJOIPVIEGVUQQN-UHFFFAOYSA-N
XLogP3.52
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 31213510
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 31289866
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 46798216
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 34940830
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide
CID 55431085
2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960771
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
CID 55814051
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 27822055
2-phenoxyethyl 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722281
3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide
CID 55710404

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide (CID 8960780) is 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCOc2ccccc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide?
The InChIKey is BJOIPVIEGVUQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-4-23(5-2)28(25,26)19-15-16(11-12-18(19)21)20(24)22(3)13-14-27-17-9-7-6-8-10-17/h6-12,15H,4-5,13-14H2,1-3H3.
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide?
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide has a molecular weight of 424.95 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 8960780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).