N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide

C21H27ClN2O3S — CID 7914188

IUPACN-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ccc1Cl
InChIInChI=1S/C21H27ClN2O3S/c1-6-24(7-2)28(26,27)19-14-15(8-13-18(19)22)20(25)23-17-11-9-16(10-12-17)21(3,4)5/h8-14H,6-7H2,1-5H3,(H,23,25)
InChIKeyKQUWMJIVYBXAFA-UHFFFAOYSA-N
MW422.98 g/mol
LogP4.92
Rot. Bonds6

About N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide

N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide (PubChem CID 7914188) has the molecular formula C21H27ClN2O3S and a molecular weight of 422.98 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
PubChem CID7914188
Molecular FormulaC21H27ClN2O3S
Molecular Weight422.98 g/mol
Exact Mass422.14
IUPAC NameN-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ccc1Cl
InChIInChI=1S/C21H27ClN2O3S/c1-6-24(7-2)28(26,27)19-14-15(8-13-18(19)22)20(25)23-17-11-9-16(10-12-17)21(3,4)5/h8-14H,6-7H2,1-5H3,(H,23,25)
InChIKeyKQUWMJIVYBXAFA-UHFFFAOYSA-N
XLogP4.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide
CID 9413612
4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide
CID 52680605
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
CID 2665643
4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide
CID 55805492
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 38255180
4-chloro-N-[4-(diethylsulfamoyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 4551872
4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 26663982
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 56581135
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide (CID 7914188) is N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ccc1Cl.
What is the InChIKey of N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide?
The InChIKey is KQUWMJIVYBXAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3S/c1-6-24(7-2)28(26,27)19-14-15(8-13-18(19)22)20(25)23-17-11-9-16(10-12-17)21(3,4)5/h8-14H,6-7H2,1-5H3,(H,23,25).
What are the key properties of N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide?
N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide has a molecular weight of 422.98 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 7914188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).