(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide

C15H15ClN2O4S — CID 1008579

IUPAC(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H15ClN2O4S/c1-10(22-13-4-2-3-11(16)9-13)15(19)18-12-5-7-14(8-6-12)23(17,20)21/h2-10H,1H3,(H,18,19)(H2,17,20,21)/t10-/m0/s1
InChIKeyGSIYESHMMFFELN-JTQLQIEISA-N
MW354.82 g/mol
LogP2.39
Rot. Bonds5

About (2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide

(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 1008579) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
PubChem CID1008579
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H15ClN2O4S/c1-10(22-13-4-2-3-11(16)9-13)15(19)18-12-5-7-14(8-6-12)23(17,20)21/h2-10H,1H3,(H,18,19)(H2,17,20,21)/t10-/m0/s1
InChIKeyGSIYESHMMFFELN-JTQLQIEISA-N
XLogP2.39
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 19191667
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-2-(3-chlorophenoxy)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]propanamide
CID 94016242
(2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 890882
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1294665
2-(3-chlorophenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 5057660
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide
CID 966199
2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64794507
(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 7371830
N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 62229280

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide (CID 1008579) is (2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide is C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is GSIYESHMMFFELN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-10(22-13-4-2-3-11(16)9-13)15(19)18-12-5-7-14(8-6-12)23(17,20)21/h2-10H,1H3,(H,18,19)(H2,17,20,21)/t10-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide?
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 354.82 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 1008579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).