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

C12H14ClN3O3S — CID 3791011

IUPAC2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CCl)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C12H14ClN3O3S/c13-8-12(17)15-9-3-1-4-10(7-9)20(18,19)16-11-5-2-6-14-11/h1,3-4,7H,2,5-6,8H2,(H,14,16)(H,15,17)
InChIKeyZLURZUOKHVNOTM-UHFFFAOYSA-N
MW315.78 g/mol
LogP1.33
Rot. Bonds4

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

2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide (PubChem CID 3791011) has the molecular formula C12H14ClN3O3S and a molecular weight of 315.78 g/mol. Its IUPAC name is 2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide
PubChem CID3791011
Molecular FormulaC12H14ClN3O3S
Molecular Weight315.78 g/mol
Exact Mass315.04
IUPAC Name2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CCl)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C12H14ClN3O3S/c13-8-12(17)15-9-3-1-4-10(7-9)20(18,19)16-11-5-2-6-14-11/h1,3-4,7H,2,5-6,8H2,(H,14,16)(H,15,17)
InChIKeyZLURZUOKHVNOTM-UHFFFAOYSA-N
XLogP1.33
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide (CID 3791011) is 2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide is O=C(CCl)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1.
What is the InChIKey of 2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide?
The InChIKey is ZLURZUOKHVNOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S/c13-8-12(17)15-9-3-1-4-10(7-9)20(18,19)16-11-5-2-6-14-11/h1,3-4,7H,2,5-6,8H2,(H,14,16)(H,15,17).
What are the key properties of 2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide?
2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide has a molecular weight of 315.78 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 3791011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).