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

C16H17ClN2O3S — CID 100520518

IUPAC2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O3S/c1-11-7-8-14(15(17)9-11)16(20)18-12-5-4-6-13(10-12)19(2)23(3,21)22/h4-10H,1-3H3,(H,18,20)
InChIKeyFIDIJYMMNGDHJH-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.30
Rot. Bonds4

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

2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide (PubChem CID 100520518) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
PubChem CID100520518
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O3S/c1-11-7-8-14(15(17)9-11)16(20)18-12-5-4-6-13(10-12)19(2)23(3,21)22/h4-10H,1-3H3,(H,18,20)
InChIKeyFIDIJYMMNGDHJH-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 50944504
4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 1006597
1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea
CID 2224615
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 2980254
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-methylsulfanylbenzamide
CID 1252494
2-chloro-N-(3-methoxyphenyl)-4-methylbenzamide
CID 886020
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 982875
2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 56920914
N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide
CID 41465695
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 4841035
4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide
CID 1264396
2-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 132660080

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The IUPAC name of 2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide (CID 100520518) is 2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The InChIKey is FIDIJYMMNGDHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-11-7-8-14(15(17)9-11)16(20)18-12-5-4-6-13(10-12)19(2)23(3,21)22/h4-10H,1-3H3,(H,18,20).
What are the key properties of 2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide has a molecular weight of 352.84 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide is sourced from PubChem (CID 100520518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).