2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide

C23H23ClN2O6S — CID 58941377

IUPAC2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)cc2C(O)c2ccccc2)cc1OC
InChIInChI=1S/C23H23ClN2O6S/c1-31-20-11-9-17(13-21(20)32-2)33(29,30)26(14-22(25)27)19-10-8-16(24)12-18(19)23(28)15-6-4-3-5-7-15/h3-13,23,28H,14H2,1-2H3,(H2,25,27)
InChIKeyJTQANUIQRDVDLM-UHFFFAOYSA-N
MW490.97 g/mol
LogP3.12
Rot. Bonds9

About 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide

2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide (PubChem CID 58941377) has the molecular formula C23H23ClN2O6S and a molecular weight of 490.97 g/mol. Its IUPAC name is 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide.

Molecular Properties

Compound Name2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide
PubChem CID58941377
Molecular FormulaC23H23ClN2O6S
Molecular Weight490.97 g/mol
Exact Mass490.10
IUPAC Name2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)cc2C(O)c2ccccc2)cc1OC
InChIInChI=1S/C23H23ClN2O6S/c1-31-20-11-9-17(13-21(20)32-2)33(29,30)26(14-22(25)27)19-10-8-16(24)12-18(19)23(28)15-6-4-3-5-7-15/h3-13,23,28H,14H2,1-2H3,(H2,25,27)
InChIKeyJTQANUIQRDVDLM-UHFFFAOYSA-N
XLogP3.12
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(2-chlorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide
CID 58941265
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1102414
2-[4-chloro-2-[(2,3-difluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]-N-ethylacetamide
CID 58941417
2-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]-N-(2,4-dimethoxyphenyl)sulfonylanilino]acetamide
CID 58941363
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(1-phenylpropyl)acetamide
CID 43885299
2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide
CID 50893600
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 92647383
ethyl 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfinyl-2-[hydroxy(phenyl)methyl]anilino]acetate
CID 70329078
N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43900869
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133251683
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 125060392
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid
CID 28590028

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide?
The IUPAC name of 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide (CID 58941377) is 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide.
What is the SMILES notation for 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide?
The canonical SMILES for 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide is COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)cc2C(O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide?
The InChIKey is JTQANUIQRDVDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O6S/c1-31-20-11-9-17(13-21(20)32-2)33(29,30)26(14-22(25)27)19-10-8-16(24)12-18(19)23(28)15-6-4-3-5-7-15/h3-13,23,28H,14H2,1-2H3,(H2,25,27).
What are the key properties of 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide?
2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide has a molecular weight of 490.97 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide is sourced from PubChem (CID 58941377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).