4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide

C17H20ClN3O5S2 — CID 100786432

IUPAC4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)c1
InChIInChI=1S/C17H20ClN3O5S2/c1-11-5-7-13(28(25,26)19-2)10-15(11)20-17(22)12-6-8-14(18)16(9-12)21(3)27(4,23)24/h5-10,19H,1-4H3,(H,20,22)
InChIKeyPVYUZTZOIVKIAZ-UHFFFAOYSA-N
MW445.95 g/mol
LogP2.20
Rot. Bonds6

About 4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide

4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 100786432) has the molecular formula C17H20ClN3O5S2 and a molecular weight of 445.95 g/mol. Its IUPAC name is 4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide
PubChem CID100786432
Molecular FormulaC17H20ClN3O5S2
Molecular Weight445.95 g/mol
Exact Mass445.05
IUPAC Name4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)c1
InChIInChI=1S/C17H20ClN3O5S2/c1-11-5-7-13(28(25,26)19-2)10-15(11)20-17(22)12-6-8-14(18)16(9-12)21(3)27(4,23)24/h5-10,19H,1-4H3,(H,20,22)
InChIKeyPVYUZTZOIVKIAZ-UHFFFAOYSA-N
XLogP2.20
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786544
3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide
CID 27990929
4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786584
4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 100786469
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 26773919
4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide
CID 29411178
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768
N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41453282
4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide
CID 4547924
3-chloro-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 5211673
4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide
CID 100786729
2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 63374698

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of 4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide (CID 100786432) is 4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for 4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for 4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide is CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)c1.
What is the InChIKey of 4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is PVYUZTZOIVKIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O5S2/c1-11-5-7-13(28(25,26)19-2)10-15(11)20-17(22)12-6-8-14(18)16(9-12)21(3)27(4,23)24/h5-10,19H,1-4H3,(H,20,22).
What are the key properties of 4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide?
4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 445.95 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 100786432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).