methyl 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetate

C17H18ClNO5S — CID 1103824

IUPACmethyl 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18ClNO5S/c1-12-4-7-14(8-5-12)25(21,22)19(11-17(20)24-3)15-10-13(18)6-9-16(15)23-2/h4-10H,11H2,1-3H3
InChIKeyWBQSAGDDTZMGKA-UHFFFAOYSA-N
MW383.85 g/mol
LogP3.03
Rot. Bonds6

About methyl 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetate

methyl 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetate (PubChem CID 1103824) has the molecular formula C17H18ClNO5S and a molecular weight of 383.85 g/mol. Its IUPAC name is methyl 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetate
PubChem CID1103824
Molecular FormulaC17H18ClNO5S
Molecular Weight383.85 g/mol
Exact Mass383.06
IUPAC Namemethyl 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18ClNO5S/c1-12-4-7-14(8-5-12)25(21,22)19(11-17(20)24-3)15-10-13(18)6-9-16(15)23-2/h4-10H,11H2,1-3H3
InChIKeyWBQSAGDDTZMGKA-UHFFFAOYSA-N
XLogP3.03
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Bnc375
CID 118160666
4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 72734518
4-[3-[(5-Chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 73053248
4-[({[(5-Chloro-2-methoxyphenyl)amino]carbonothioyl}amino)methyl]benzenesulfonamide
CID 1298277
ethyl 1-[N-(5-chloro-2-methoxyphenyl)-N-(phenylsulfonyl)glycyl]piperidine-4-carboxylate
CID 2929885
2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 2943503
N-tert-Butyl-2-[(5-chloro-2-methoxy-phenyl)-(4-methyl-3-nitro-benzenesulfonyl)-amino]-acetamide
CID 3136617
N-(3-chloro-4-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycine
CID 1076831
N-(3-Chloro-4-methylphenyl)-2-[N-(2-methoxyphenyl)4-methylbenzenesulfonamido]acetamide
CID 1333249
N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycine
CID 22193709
N-(2-ethoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycine
CID 846547
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 749146

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetate?
The IUPAC name of methyl 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetate (CID 1103824) is methyl 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetate.
What is the SMILES notation for methyl 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetate?
The canonical SMILES for methyl 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetate is COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetate?
The InChIKey is WBQSAGDDTZMGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5S/c1-12-4-7-14(8-5-12)25(21,22)19(11-17(20)24-3)15-10-13(18)6-9-16(15)23-2/h4-10H,11H2,1-3H3.
What are the key properties of methyl 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetate?
methyl 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetate has a molecular weight of 383.85 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetate is sourced from PubChem (CID 1103824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).