2-[2-(5-chloro-2-methylanilino)ethylsulfonyl]benzamide

C16H17ClN2O3S — CID 175806473

IUPAC2-[2-(5-chloro-2-methylanilino)ethylsulfonyl]benzamide
SMILESCc1ccc(Cl)cc1NCCS(=O)(=O)c1ccccc1C(N)=O
InChIInChI=1S/C16H17ClN2O3S/c1-11-6-7-12(17)10-14(11)19-8-9-23(21,22)15-5-3-2-4-13(15)16(18)20/h2-7,10,19H,8-9H2,1H3,(H2,18,20)
InChIKeyYBKXLMWMCHMNHO-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.63
Rot. Bonds6

About 2-[2-(5-chloro-2-methylanilino)ethylsulfonyl]benzamide

2-[2-(5-chloro-2-methylanilino)ethylsulfonyl]benzamide (PubChem CID 175806473) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-methylanilino)ethylsulfonyl]benzamide.

Molecular Properties

Compound Name2-[2-(5-chloro-2-methylanilino)ethylsulfonyl]benzamide
PubChem CID175806473
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-[2-(5-chloro-2-methylanilino)ethylsulfonyl]benzamide
SMILESCc1ccc(Cl)cc1NCCS(=O)(=O)c1ccccc1C(N)=O
InChIInChI=1S/C16H17ClN2O3S/c1-11-6-7-12(17)10-14(11)19-8-9-23(21,22)15-5-3-2-4-13(15)16(18)20/h2-7,10,19H,8-9H2,1H3,(H2,18,20)
InChIKeyYBKXLMWMCHMNHO-UHFFFAOYSA-N
XLogP2.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-methylanilino)propanethioamide
CID 82081464
3-(5-chloro-2-methylanilino)propane-1-sulfonic acid
CID 12544213
(2-carbamoylphenyl) 5-chloro-2-methylbenzenesulfonate
CID 34031546
2-[(3-bromo-4-methylanilino)methylsulfonyl]benzamide
CID 154630794
2-[(2-propylsulfonylbenzoyl)amino]benzamide
CID 17224890
4-[(5-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28562952
[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 8976670
[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 18091804
2-(5-chloro-2-methylanilino)-N-(2-chlorophenyl)acetamide
CID 9102932
2-(4-chloro-2-methylanilino)pyridine-3-carboxamide
CID 901918
N-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide
CID 126188766
2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 16553153

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-methylanilino)ethylsulfonyl]benzamide?
The IUPAC name of 2-[2-(5-chloro-2-methylanilino)ethylsulfonyl]benzamide (CID 175806473) is 2-[2-(5-chloro-2-methylanilino)ethylsulfonyl]benzamide.
What is the SMILES notation for 2-[2-(5-chloro-2-methylanilino)ethylsulfonyl]benzamide?
The canonical SMILES for 2-[2-(5-chloro-2-methylanilino)ethylsulfonyl]benzamide is Cc1ccc(Cl)cc1NCCS(=O)(=O)c1ccccc1C(N)=O.
What is the InChIKey of 2-[2-(5-chloro-2-methylanilino)ethylsulfonyl]benzamide?
The InChIKey is YBKXLMWMCHMNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-11-6-7-12(17)10-14(11)19-8-9-23(21,22)15-5-3-2-4-13(15)16(18)20/h2-7,10,19H,8-9H2,1H3,(H2,18,20).
What are the key properties of 2-[2-(5-chloro-2-methylanilino)ethylsulfonyl]benzamide?
2-[2-(5-chloro-2-methylanilino)ethylsulfonyl]benzamide has a molecular weight of 352.84 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-methylanilino)ethylsulfonyl]benzamide is sourced from PubChem (CID 175806473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).