(2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid

C11H13ClN2O4S — CID 107314914

IUPAC(2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid
SMILESO=C(O)[C@H](NS(=O)(=O)NC1CC1)c1ccccc1Cl
InChIInChI=1S/C11H13ClN2O4S/c12-9-4-2-1-3-8(9)10(11(15)16)14-19(17,18)13-7-5-6-7/h1-4,7,10,13-14H,5-6H2,(H,15,16)/t10-/m1/s1
InChIKeyXFYDJPFSNHAEQB-SNVBAGLBSA-N
MW304.75 g/mol
LogP1.05
Rot. Bonds6

About (2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid

(2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid (PubChem CID 107314914) has the molecular formula C11H13ClN2O4S and a molecular weight of 304.75 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid
PubChem CID107314914
Molecular FormulaC11H13ClN2O4S
Molecular Weight304.75 g/mol
Exact Mass304.03
IUPAC Name(2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid
SMILESO=C(O)[C@H](NS(=O)(=O)NC1CC1)c1ccccc1Cl
InChIInChI=1S/C11H13ClN2O4S/c12-9-4-2-1-3-8(9)10(11(15)16)14-19(17,18)13-7-5-6-7/h1-4,7,10,13-14H,5-6H2,(H,15,16)/t10-/m1/s1
InChIKeyXFYDJPFSNHAEQB-SNVBAGLBSA-N
XLogP1.05
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid
CID 61002560
(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid
CID 107314892
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
(2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid
CID 107314977
(2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid
CID 107314959
(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid
CID 107314957
(2R)-2-(2-chlorophenyl)-2-(2-cyclopropylethylcarbamoylamino)acetic acid
CID 107316086
(2S)-2-(cyclopropylsulfamoylamino)-4-phenylbutanoic acid
CID 104983280
(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid
CID 107315387
(2R)-2-(cyclopropylsulfamoylamino)-2-phenylethanol
CID 104919310
2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 114533414
(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
CID 107314543

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid (CID 107314914) is (2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid is O=C(O)[C@H](NS(=O)(=O)NC1CC1)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid?
The InChIKey is XFYDJPFSNHAEQB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13ClN2O4S/c12-9-4-2-1-3-8(9)10(11(15)16)14-19(17,18)13-7-5-6-7/h1-4,7,10,13-14H,5-6H2,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid?
(2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid has a molecular weight of 304.75 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-(cyclopropylsulfamoylamino)acetic acid is sourced from PubChem (CID 107314914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).