2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid

C20H22ClNO6S — CID 100515066

IUPAC2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OC3CCCC3)cc2)cc1Cl
InChIInChI=1S/C20H22ClNO6S/c1-27-19-11-10-17(12-18(19)21)29(25,26)22(13-20(23)24)14-6-8-16(9-7-14)28-15-4-2-3-5-15/h6-12,15H,2-5,13H2,1H3,(H,23,24)
InChIKeyFZYUTXRYCXWUHM-UHFFFAOYSA-N
MW439.92 g/mol
LogP3.95
Rot. Bonds8

About 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid

2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid (PubChem CID 100515066) has the molecular formula C20H22ClNO6S and a molecular weight of 439.92 g/mol. Its IUPAC name is 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid
PubChem CID100515066
Molecular FormulaC20H22ClNO6S
Molecular Weight439.92 g/mol
Exact Mass439.09
IUPAC Name2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OC3CCCC3)cc2)cc1Cl
InChIInChI=1S/C20H22ClNO6S/c1-27-19-11-10-17(12-18(19)21)29(25,26)22(13-20(23)24)14-6-8-16(9-7-14)28-15-4-2-3-5-15/h6-12,15H,2-5,13H2,1H3,(H,23,24)
InChIKeyFZYUTXRYCXWUHM-UHFFFAOYSA-N
XLogP3.95
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonyl-4-fluoroanilino)acetic acid
CID 100513350
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide
CID 30223452
methyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-prop-2-enoxyanilino)acetate
CID 100514854
2-(4-cyclopentyloxy-N-(2-methyl-5-nitrophenyl)sulfonylanilino)acetic acid
CID 100541333
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
CID 2240865
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 1263762
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-cycloheptylacetamide
CID 3917250
3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 100511297
N-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 2927933
2-(N-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 146580189
2-chloro-4-cyclobutyloxy-1-methoxybenzene
CID 130057041
methyl 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100510847

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid?
The IUPAC name of 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid (CID 100515066) is 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid.
What is the SMILES notation for 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid?
The canonical SMILES for 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid is COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OC3CCCC3)cc2)cc1Cl.
What is the InChIKey of 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid?
The InChIKey is FZYUTXRYCXWUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO6S/c1-27-19-11-10-17(12-18(19)21)29(25,26)22(13-20(23)24)14-6-8-16(9-7-14)28-15-4-2-3-5-15/h6-12,15H,2-5,13H2,1H3,(H,23,24).
What are the key properties of 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid?
2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid has a molecular weight of 439.92 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-cyclopentyloxyanilino)acetic acid is sourced from PubChem (CID 100515066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).