propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate

C18H20ClNO4S — CID 50890197

IUPACpropan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate
SMILESCc1ccc(S(=O)(=O)N(CC(=O)OC(C)C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO4S/c1-13(2)24-18(21)12-20(16-6-4-5-15(19)11-16)25(22,23)17-9-7-14(3)8-10-17/h4-11,13H,12H2,1-3H3
InChIKeyXQFPMMMNMJCMAE-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.80
Rot. Bonds6

About propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate

propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate (PubChem CID 50890197) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate
PubChem CID50890197
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Namepropan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate
SMILESCc1ccc(S(=O)(=O)N(CC(=O)OC(C)C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO4S/c1-13(2)24-18(21)12-20(16-6-4-5-15(19)11-16)25(22,23)17-9-7-14(3)8-10-17/h4-11,13H,12H2,1-3H3
InChIKeyXQFPMMMNMJCMAE-UHFFFAOYSA-N
XLogP3.80
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate
CID 50889833
propan-2-yl 2-(3-chloro-N-methylsulfonylanilino)acetate
CID 50890248
propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-3-iodoanilino)acetate
CID 50891301
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30171025
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30170999
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92672006
propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50891408
propan-2-yl 2-[N-(benzenesulfonyl)-3-bromoanilino]acetate
CID 50890983
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
propan-2-yl 2-(N-(4-bromophenyl)sulfonyl-3-iodoanilino)acetate
CID 50891296
propan-2-yl 2-(3-methyl-N-(3-nitrophenyl)sulfonylanilino)acetate
CID 50889976

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate?
The IUPAC name of propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate (CID 50890197) is propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate.
What is the SMILES notation for propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate?
The canonical SMILES for propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate is Cc1ccc(S(=O)(=O)N(CC(=O)OC(C)C)c2cccc(Cl)c2)cc1.
What is the InChIKey of propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate?
The InChIKey is XQFPMMMNMJCMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-13(2)24-18(21)12-20(16-6-4-5-15(19)11-16)25(22,23)17-9-7-14(3)8-10-17/h4-11,13H,12H2,1-3H3.
What are the key properties of propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate?
propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate has a molecular weight of 381.88 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate is sourced from PubChem (CID 50890197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).