2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid

C19H16ClNO4S — CID 100533072

IUPAC2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid
SMILESCc1c(Cl)cccc1N(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H16ClNO4S/c1-13-17(20)7-4-8-18(13)21(12-19(22)23)26(24,25)16-10-9-14-5-2-3-6-15(14)11-16/h2-11H,12H2,1H3,(H,22,23)
InChIKeyUZFXVWUMBDJYFD-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.08
Rot. Bonds5

About 2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid

2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid (PubChem CID 100533072) has the molecular formula C19H16ClNO4S and a molecular weight of 389.86 g/mol. Its IUPAC name is 2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid
PubChem CID100533072
Molecular FormulaC19H16ClNO4S
Molecular Weight389.86 g/mol
Exact Mass389.05
IUPAC Name2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid
SMILESCc1c(Cl)cccc1N(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H16ClNO4S/c1-13-17(20)7-4-8-18(13)21(12-19(22)23)26(24,25)16-10-9-14-5-2-3-6-15(14)11-16/h2-11H,12H2,1H3,(H,22,23)
InChIKeyUZFXVWUMBDJYFD-UHFFFAOYSA-N
XLogP4.08
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetic acid
CID 50895830
2-(3-chloro-N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetic acid
CID 100544359
2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100532770
2-(3-chloro-2-methyl-N-(2-methyl-5-nitrophenyl)sulfonylanilino)acetic acid
CID 100538838
methyl 2-(3-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)acetate
CID 50895551
2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride
CID 50895334
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide
CID 4200682
N,N-dibenzyl-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43891702
methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100530154
2-(3-ethoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100535124
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(3,4-dichlorophenyl)acetamide
CID 21371863
ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50895722

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid?
The IUPAC name of 2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid (CID 100533072) is 2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid?
The canonical SMILES for 2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid is Cc1c(Cl)cccc1N(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid?
The InChIKey is UZFXVWUMBDJYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S/c1-13-17(20)7-4-8-18(13)21(12-19(22)23)26(24,25)16-10-9-14-5-2-3-6-15(14)11-16/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of 2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid?
2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid has a molecular weight of 389.86 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid is sourced from PubChem (CID 100533072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).