N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide

C20H25ClN2O3S — CID 27773808

IUPACN-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C20H25ClN2O3S/c1-5-23(6-2)27(25,26)19-13-17(10-7-15(19)3)20(24)22(4)14-16-8-11-18(21)12-9-16/h7-13H,5-6,14H2,1-4H3
InChIKeyLSLDSHAXNZEYHR-UHFFFAOYSA-N
MW408.95 g/mol
LogP3.95
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide

N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide (PubChem CID 27773808) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
PubChem CID27773808
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C20H25ClN2O3S/c1-5-23(6-2)27(25,26)19-13-17(10-7-15(19)3)20(24)22(4)14-16-8-11-18(21)12-9-16/h7-13H,5-6,14H2,1-4H3
InChIKeyLSLDSHAXNZEYHR-UHFFFAOYSA-N
XLogP3.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
CID 26555928
N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27665708
N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 31991118
5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide
CID 26657357
(4-chlorophenyl) 3-(diethylsulfamoyl)-4-methylbenzoate
CID 1381664
3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide
CID 55710404
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 34940830
3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide
CID 78784360
N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 134006059
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 55329720
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 26731707
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide (CID 27773808) is N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(Cl)cc2)ccc1C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide?
The InChIKey is LSLDSHAXNZEYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-5-23(6-2)27(25,26)19-13-17(10-7-15(19)3)20(24)22(4)14-16-8-11-18(21)12-9-16/h7-13H,5-6,14H2,1-4H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide?
N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide has a molecular weight of 408.95 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide is sourced from PubChem (CID 27773808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).