2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide

C16H17ClN2O3S — CID 30170999

IUPAC2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
SMILESCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-12-6-8-15(9-7-12)23(21,22)19(11-16(20)18-2)14-5-3-4-13(17)10-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyITCVEKWMQAPJSR-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.59
Rot. Bonds5

About 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide

2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide (PubChem CID 30170999) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
PubChem CID30170999
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
SMILESCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-12-6-8-15(9-7-12)23(21,22)19(11-16(20)18-2)14-5-3-4-13(17)10-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyITCVEKWMQAPJSR-UHFFFAOYSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30171025
N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126128117
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92672006
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172772
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43902361
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881654
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide
CID 1370011
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30242800
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133160802
propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890197
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 137044533
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28631720

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
The IUPAC name of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide (CID 30170999) is 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
The canonical SMILES for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide is CNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
The InChIKey is ITCVEKWMQAPJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-12-6-8-15(9-7-12)23(21,22)19(11-16(20)18-2)14-5-3-4-13(17)10-14/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide has a molecular weight of 352.84 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 30170999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).