1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carbonitrile

C11H8ClN3O2S — CID 515929

IUPAC1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carbonitrile
SMILESN#Cc1cccn1S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C11H8ClN3O2S/c12-8-3-4-10(14)11(6-8)18(16,17)15-5-1-2-9(15)7-13/h1-6H,14H2
InChIKeyNURYXWKULGUUAH-UHFFFAOYSA-N
MW281.72 g/mol
LogP1.83
Rot. Bonds2

About 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carbonitrile

1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carbonitrile (PubChem CID 515929) has the molecular formula C11H8ClN3O2S and a molecular weight of 281.72 g/mol. Its IUPAC name is 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carbonitrile
PubChem CID515929
Molecular FormulaC11H8ClN3O2S
Molecular Weight281.72 g/mol
Exact Mass281.00
IUPAC Name1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carbonitrile
SMILESN#Cc1cccn1S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C11H8ClN3O2S/c12-8-3-4-10(14)11(6-8)18(16,17)15-5-1-2-9(15)7-13/h1-6H,14H2
InChIKeyNURYXWKULGUUAH-UHFFFAOYSA-N
XLogP1.83
TPSA88.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Chloroanilino)-3-pyridinesulfonamide
CID 902007
6-chloro-N-(2-fluorophenyl)pyridine-3-sulfonamide
CID 2683449
1H-Pyrrole, 1-((5-chloro-2-nitrophenyl)sulfonyl)-
CID 464716
1-(4-chloro-benzenesulfonyl)-2-ethyl-1H-pyrrole
CID 71562082
1H-Pyrrole, 1-((2-amino-4-chlorophenyl)sulfonyl)-
CID 464709
1H-Pyrrole, 1-((2-aminophenyl)sulfonyl)-
CID 464835
1-(Phenylsulfonyl)-2-pyrrolecarbonitrile
CID 4296455
(E)-3-[1-(4-chlorophenyl)sulfonylpyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile
CID 44607952
1H-Pyrrole, 1-((5-amino-2-chlorophenyl)sulfonyl)-
CID 464780
1H-Pyrrole, 1-((2-amino-5-chlorophenyl)sulfonyl)-
CID 464847
3-chloro-N-3-pyridinylbenzenesulfonamide
CID 890243
1-(5-Chloro-2-nitro-phenyl)sulfonylpyrrole-2-carbonitrile
CID 515917

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carbonitrile?
The IUPAC name of 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carbonitrile (CID 515929) is 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carbonitrile.
What is the SMILES notation for 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carbonitrile?
The canonical SMILES for 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carbonitrile is N#Cc1cccn1S(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carbonitrile?
The InChIKey is NURYXWKULGUUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2S/c12-8-3-4-10(14)11(6-8)18(16,17)15-5-1-2-9(15)7-13/h1-6H,14H2.
What are the key properties of 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carbonitrile?
1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carbonitrile has a molecular weight of 281.72 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carbonitrile is sourced from PubChem (CID 515929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).