2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide

C19H20ClN3O4S — CID 42905606

IUPAC2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C19H20ClN3O4S/c1-13(27-16-7-2-5-14(20)11-16)19(24)22-15-6-3-8-17(12-15)28(25,26)23-18-9-4-10-21-18/h2-3,5-8,11-13H,4,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeySAFAHASDXSDDLB-UHFFFAOYSA-N
MW421.91 g/mol
LogP3.22
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide

2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide (PubChem CID 42905606) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide
PubChem CID42905606
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Name2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C19H20ClN3O4S/c1-13(27-16-7-2-5-14(20)11-16)19(24)22-15-6-3-8-17(12-15)28(25,26)23-18-9-4-10-21-18/h2-3,5-8,11-13H,4,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeySAFAHASDXSDDLB-UHFFFAOYSA-N
XLogP3.22
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
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2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
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(2R)-2-acetamido-3-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]butanamide
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2-(3-chlorophenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
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2-(3-chlorophenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
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(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 94012774
(2S)-2-(3-chlorophenoxy)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]propanamide
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(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide (CID 42905606) is 2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide?
The InChIKey is SAFAHASDXSDDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-13(27-16-7-2-5-14(20)11-16)19(24)22-15-6-3-8-17(12-15)28(25,26)23-18-9-4-10-21-18/h2-3,5-8,11-13H,4,9-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide?
2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide has a molecular weight of 421.91 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 42905606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).