4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide

C21H23Cl2N3O4S — CID 55805492

IUPAC4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)NC3CC3)c(Cl)c2)ccc1Cl
InChIInChI=1S/C21H23Cl2N3O4S/c1-3-26(4-2)31(29,30)19-11-13(5-10-17(19)22)20(27)25-15-8-9-16(18(23)12-15)21(28)24-14-6-7-14/h5,8-12,14H,3-4,6-7H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyYTCIQQIJMTYWOD-UHFFFAOYSA-N
MW484.41 g/mol
LogP4.17
Rot. Bonds8

About 4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide

4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide (PubChem CID 55805492) has the molecular formula C21H23Cl2N3O4S and a molecular weight of 484.41 g/mol. Its IUPAC name is 4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide
PubChem CID55805492
Molecular FormulaC21H23Cl2N3O4S
Molecular Weight484.41 g/mol
Exact Mass483.08
IUPAC Name4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)NC3CC3)c(Cl)c2)ccc1Cl
InChIInChI=1S/C21H23Cl2N3O4S/c1-3-26(4-2)31(29,30)19-11-13(5-10-17(19)22)20(27)25-15-8-9-16(18(23)12-15)21(28)24-14-6-7-14/h5,8-12,14H,3-4,6-7H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyYTCIQQIJMTYWOD-UHFFFAOYSA-N
XLogP4.17
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 55950765
4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
CID 2665643
4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55532770
4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide
CID 52680605
4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 26663982
2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 39171138
4-chloro-3-(diethylsulfamoyl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]benzamide
CID 27298805
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 55340939
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide
CID 9101511
2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide
CID 2425482

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide (CID 55805492) is 4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)NC3CC3)c(Cl)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide?
The InChIKey is YTCIQQIJMTYWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O4S/c1-3-26(4-2)31(29,30)19-11-13(5-10-17(19)22)20(27)25-15-8-9-16(18(23)12-15)21(28)24-14-6-7-14/h5,8-12,14H,3-4,6-7H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide?
4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide has a molecular weight of 484.41 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 55805492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).