2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid

C15H14ClNO5S — CID 28590028

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid
SMILESCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO5S/c1-22-14-5-3-2-4-13(14)17(10-15(18)19)23(20,21)12-8-6-11(16)7-9-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyYBHBFMAEYBYRMK-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.63
Rot. Bonds6

About 2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid

2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid (PubChem CID 28590028) has the molecular formula C15H14ClNO5S and a molecular weight of 355.80 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid
PubChem CID28590028
Molecular FormulaC15H14ClNO5S
Molecular Weight355.80 g/mol
Exact Mass355.03
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid
SMILESCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO5S/c1-22-14-5-3-2-4-13(14)17(10-15(18)19)23(20,21)12-8-6-11(16)7-9-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyYBHBFMAEYBYRMK-UHFFFAOYSA-N
XLogP2.63
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100532770
3-[N-(benzenesulfonyl)-2-methoxyanilino]propanoic acid
CID 50891113
N-[(3-chlorophenyl)methyl]-2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetamide
CID 2695409
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 29284468
2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100543852
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1102414
2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid
CID 50891057
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2695403
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51344748
2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid
CID 50892863
2-(3-chloro-N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetic acid
CID 100544359
2-(5-chloro-2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid
CID 50895119

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid (CID 28590028) is 2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid is COc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid?
The InChIKey is YBHBFMAEYBYRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5S/c1-22-14-5-3-2-4-13(14)17(10-15(18)19)23(20,21)12-8-6-11(16)7-9-12/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid?
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid has a molecular weight of 355.80 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid is sourced from PubChem (CID 28590028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).