2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide

C21H18ClN3O4S — CID 30753430

IUPAC2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C21H18ClN3O4S/c1-30(28,29)17-10-11-19(22)18(13-17)20(26)23-15-8-5-9-16(12-15)25-21(27)24-14-6-3-2-4-7-14/h2-13H,1H3,(H,23,26)(H2,24,25,27)
InChIKeyCCBFUEBAWOKBSE-UHFFFAOYSA-N
MW443.91 g/mol
LogP4.64
Rot. Bonds5

About 2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide

2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide (PubChem CID 30753430) has the molecular formula C21H18ClN3O4S and a molecular weight of 443.91 g/mol. Its IUPAC name is 2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
PubChem CID30753430
Molecular FormulaC21H18ClN3O4S
Molecular Weight443.91 g/mol
Exact Mass443.07
IUPAC Name2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C21H18ClN3O4S/c1-30(28,29)17-10-11-19(22)18(13-17)20(26)23-15-8-5-9-16(12-15)25-21(27)24-14-6-3-2-4-7-14/h2-13H,1H3,(H,23,26)(H2,24,25,27)
InChIKeyCCBFUEBAWOKBSE-UHFFFAOYSA-N
XLogP4.64
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.91
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide
CID 26289868
1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea
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CID 78792274
2-chloro-N-(3-chlorophenyl)-5-(methylsulfamoyl)benzamide
CID 9412137
2-chloro-N-(4-methylsulfonylphenyl)-5-sulfanylbenzamide
CID 107021766
2-chloro-5-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 78769975
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
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CID 1310313

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide (CID 30753430) is 2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide is CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1.
What is the InChIKey of 2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide?
The InChIKey is CCBFUEBAWOKBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4S/c1-30(28,29)17-10-11-19(22)18(13-17)20(26)23-15-8-5-9-16(12-15)25-21(27)24-14-6-3-2-4-7-14/h2-13H,1H3,(H,23,26)(H2,24,25,27).
What are the key properties of 2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide?
2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide has a molecular weight of 443.91 g/mol, XLogP of 4.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 30753430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).