(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide

C16H17ClN2O4S — CID 28542324

IUPAC(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C16H17ClN2O4S/c1-23-14-8-7-12(17)10-15(14)24(21,22)19-13(16(18)20)9-11-5-3-2-4-6-11/h2-8,10,13,19H,9H2,1H3,(H2,18,20)/t13-/m0/s1
InChIKeyCLGIJDNJMAXXAA-ZDUSSCGKSA-N
MW368.84 g/mol
LogP1.72
Rot. Bonds7

About (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide

(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 28542324) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID28542324
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C16H17ClN2O4S/c1-23-14-8-7-12(17)10-15(14)24(21,22)19-13(16(18)20)9-11-5-3-2-4-6-11/h2-8,10,13,19H,9H2,1H3,(H2,18,20)/t13-/m0/s1
InChIKeyCLGIJDNJMAXXAA-ZDUSSCGKSA-N
XLogP1.72
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 1267668
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 28543096
4-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzamide
CID 28542878
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 28542771
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 28542438
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)-3-phenylpropanamide
CID 28542619
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 28542390
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-fluorophenyl)-3-phenylpropanamide
CID 28542641
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-ethylphenyl)-3-phenylpropanamide
CID 43871505
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 28542725
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 28542728
(2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94861070

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide (CID 28542324) is (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide is COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(N)=O.
What is the InChIKey of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is CLGIJDNJMAXXAA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-23-14-8-7-12(17)10-15(14)24(21,22)19-13(16(18)20)9-11-5-3-2-4-6-11/h2-8,10,13,19H,9H2,1H3,(H2,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 368.84 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 28542324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).