propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate

C18H20ClNO4S — CID 50889833

IUPACpropan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate
SMILESCc1ccc(N(CC(=O)OC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO4S/c1-13(2)24-18(21)12-20(16-8-4-14(3)5-9-16)25(22,23)17-10-6-15(19)7-11-17/h4-11,13H,12H2,1-3H3
InChIKeyDPFZIACBAJZVDQ-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.80
Rot. Bonds6

About propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate

propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate (PubChem CID 50889833) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate
PubChem CID50889833
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Namepropan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate
SMILESCc1ccc(N(CC(=O)OC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO4S/c1-13(2)24-18(21)12-20(16-8-4-14(3)5-9-16)25(22,23)17-10-6-15(19)7-11-17/h4-11,13H,12H2,1-3H3
InChIKeyDPFZIACBAJZVDQ-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-(4-bromo-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890735
propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate
CID 50891344
propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890197
propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-3-iodoanilino)acetate
CID 50891301
propan-2-yl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
CID 50890211
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 94020245
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 126415535
N-(4-chlorophenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345333
propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50891408
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2271201
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylethyl)acetamide
CID 3458879
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30251964

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate?
The IUPAC name of propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate (CID 50889833) is propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate.
What is the SMILES notation for propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate?
The canonical SMILES for propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate is Cc1ccc(N(CC(=O)OC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate?
The InChIKey is DPFZIACBAJZVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-13(2)24-18(21)12-20(16-8-4-14(3)5-9-16)25(22,23)17-10-6-15(19)7-11-17/h4-11,13H,12H2,1-3H3.
What are the key properties of propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate?
propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)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-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate is sourced from PubChem (CID 50889833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).