2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid

C19H16ClNO5S — CID 100532770

IUPAC2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
SMILESCOc1ccc(Cl)cc1N(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H16ClNO5S/c1-26-18-9-7-15(20)11-17(18)21(12-19(22)23)27(24,25)16-8-6-13-4-2-3-5-14(13)10-16/h2-11H,12H2,1H3,(H,22,23)
InChIKeyHBXRFDVWRKGZRA-UHFFFAOYSA-N
MW405.86 g/mol
LogP3.78
Rot. Bonds6

About 2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid

2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid (PubChem CID 100532770) has the molecular formula C19H16ClNO5S and a molecular weight of 405.86 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
PubChem CID100532770
Molecular FormulaC19H16ClNO5S
Molecular Weight405.86 g/mol
Exact Mass405.04
IUPAC Name2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
SMILESCOc1ccc(Cl)cc1N(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H16ClNO5S/c1-26-18-9-7-15(20)11-17(18)21(12-19(22)23)27(24,25)16-8-6-13-4-2-3-5-14(13)10-16/h2-11H,12H2,1H3,(H,22,23)
InChIKeyHBXRFDVWRKGZRA-UHFFFAOYSA-N
XLogP3.78
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid
CID 28590028
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1102414
2-(5-chloro-2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid
CID 50895119
ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100531956
2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100533072
methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
CID 50894816
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 43891741
2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100543852
2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid
CID 100544131
N-ethyl-N-(2-methoxyphenyl)naphthalene-2-sulfonamide
CID 100532213
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-chlorophenyl)acetamide
CID 1372126
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1308866

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid?
The IUPAC name of 2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid (CID 100532770) is 2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid is COc1ccc(Cl)cc1N(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid?
The InChIKey is HBXRFDVWRKGZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO5S/c1-26-18-9-7-15(20)11-17(18)21(12-19(22)23)27(24,25)16-8-6-13-4-2-3-5-14(13)10-16/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of 2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid?
2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid has a molecular weight of 405.86 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid is sourced from PubChem (CID 100532770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).