N-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide

C19H15ClN4O3S — CID 162650316

IUPACN-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide
SMILESCC(=O)Nc1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H15ClN4O3S/c1-12(25)23-19-17(10-21)18(13-2-4-14(20)5-3-13)11-24(19)15-6-8-16(9-7-15)28(22,26)27/h2-9,11H,1H3,(H,23,25)(H2,22,26,27)
InChIKeyQCMGBDSRPLGPDH-UHFFFAOYSA-N
MW414.87 g/mol
LogP3.28
Rot. Bonds4

About N-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide

N-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide (PubChem CID 162650316) has the molecular formula C19H15ClN4O3S and a molecular weight of 414.87 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide
PubChem CID162650316
Molecular FormulaC19H15ClN4O3S
Molecular Weight414.87 g/mol
Exact Mass414.06
IUPAC NameN-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide
SMILESCC(=O)Nc1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H15ClN4O3S/c1-12(25)23-19-17(10-21)18(13-2-4-14(20)5-3-13)11-24(19)15-6-8-16(9-7-15)28(22,26)27/h2-9,11H,1H3,(H,23,25)(H2,22,26,27)
InChIKeyQCMGBDSRPLGPDH-UHFFFAOYSA-N
XLogP3.28
TPSA117.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-Amino-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide
CID 162652887
4-[3-Amino-5-(4-chlorophenyl)-4-iminopyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 162653136
4-[2-[(E)-benzylideneamino]-4-(4-chlorophenyl)-3-cyanopyrrol-1-yl]benzenesulfonamide
CID 162655861
4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 162658384
4-[5-(4-chlorophenyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 162670332
ethyl (1E)-N-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]methanimidate
CID 162674050
4-[4-(4-chlorophenyl)-3-cyano-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyrrol-1-yl]benzenesulfonamide
CID 162676050
N-[3-cyano-4-phenyl-1-[4-(pyridin-2-ylsulfamoyl)phenyl]pyrrol-2-yl]acetamide
CID 49831121
[3-Cyano-4-phenyl-1-[4-(pyridin-2-ylsulfamoyl)phenyl]pyrrol-2-yl]urea
CID 52949397
N-[4-[6-chloro-5-[(4-cyanophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118249018
4-(2-Amino-3-cyano-4-phenylpyrrol-1-yl)benzenesulfonamide
CID 11522926
N-(1-tert-butyl-4-cyanopyrrol-2-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 112844093

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide (CID 162650316) is N-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide is CC(=O)Nc1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide?
The InChIKey is QCMGBDSRPLGPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3S/c1-12(25)23-19-17(10-21)18(13-2-4-14(20)5-3-13)11-24(19)15-6-8-16(9-7-15)28(22,26)27/h2-9,11H,1H3,(H,23,25)(H2,22,26,27).
What are the key properties of N-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide?
N-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide has a molecular weight of 414.87 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide is sourced from PubChem (CID 162650316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).