(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid

C10H12ClNO6S — CID 104935815

IUPAC(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C10H12ClNO6S/c1-18-8-4-6(11)2-3-9(8)19(16,17)12-5-7(13)10(14)15/h2-4,7,12-13H,5H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyADZYULMWNMOPME-ZETCQYMHSA-N
MW309.73 g/mol
LogP0.07
Rot. Bonds6

About (2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid

(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid (PubChem CID 104935815) has the molecular formula C10H12ClNO6S and a molecular weight of 309.73 g/mol. Its IUPAC name is (2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
PubChem CID104935815
Molecular FormulaC10H12ClNO6S
Molecular Weight309.73 g/mol
Exact Mass309.01
IUPAC Name(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C10H12ClNO6S/c1-18-8-4-6(11)2-3-9(8)19(16,17)12-5-7(13)10(14)15/h2-4,7,12-13H,5H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyADZYULMWNMOPME-ZETCQYMHSA-N
XLogP0.07
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936690
4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165859
(2S)-3-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935846
(2S)-2-[(4-chloro-2-methoxyphenyl)sulfonylamino]butanedioic acid
CID 112733144
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 43244846
(2S)-3-[(2-bromo-4-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 146127658
(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935898
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878708
ethyl 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 54921408
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62478089

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid (CID 104935815) is (2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid is COc1cc(Cl)ccc1S(=O)(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid?
The InChIKey is ADZYULMWNMOPME-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12ClNO6S/c1-18-8-4-6(11)2-3-9(8)19(16,17)12-5-7(13)10(14)15/h2-4,7,12-13H,5H2,1H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid?
(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid has a molecular weight of 309.73 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 104935815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).