2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid

C12H14ClNO5S — CID 62697684

IUPAC2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H14ClNO5S/c1-19-9-6-8(13)4-5-10(9)20(17,18)14-11(12(15)16)7-2-3-7/h4-7,11,14H,2-3H2,1H3,(H,15,16)
InChIKeyZETSVIAUMAKVHS-UHFFFAOYSA-N
MW319.77 g/mol
LogP1.49
Rot. Bonds6

About 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid

2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid (PubChem CID 62697684) has the molecular formula C12H14ClNO5S and a molecular weight of 319.77 g/mol. Its IUPAC name is 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid
PubChem CID62697684
Molecular FormulaC12H14ClNO5S
Molecular Weight319.77 g/mol
Exact Mass319.03
IUPAC Name2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H14ClNO5S/c1-19-9-6-8(13)4-5-10(9)20(17,18)14-11(12(15)16)7-2-3-7/h4-7,11,14H,2-3H2,1H3,(H,15,16)
InChIKeyZETSVIAUMAKVHS-UHFFFAOYSA-N
XLogP1.49
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-2-methylphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695961
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 43244846
(2S)-2-[(4-chloro-2-methoxyphenyl)sulfonylamino]butanedioic acid
CID 112733144
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62478089
(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935815
2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695010
2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid
CID 81258396
cis-(1R,3S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321526
4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 50876121
3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936690
2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid
CID 62695582
4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 115477790

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid (CID 62697684) is 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid is COc1cc(Cl)ccc1S(=O)(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid?
The InChIKey is ZETSVIAUMAKVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO5S/c1-19-9-6-8(13)4-5-10(9)20(17,18)14-11(12(15)16)7-2-3-7/h4-7,11,14H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid?
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid has a molecular weight of 319.77 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62697684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).