N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide

C20H15N5O2S — CID 2335503

IUPACN-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide
SMILESC=CCn1c(NS(=O)(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc21
InChIInChI=1S/C20H15N5O2S/c1-2-12-25-19(24-28(26,27)14-8-4-3-5-9-14)15(13-21)18-20(25)23-17-11-7-6-10-16(17)22-18/h2-11,24H,1,12H2
InChIKeyFESFSIJRTMDEFH-UHFFFAOYSA-N
MW389.44 g/mol
LogP3.44
Rot. Bonds5

About N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide

N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide (PubChem CID 2335503) has the molecular formula C20H15N5O2S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide
PubChem CID2335503
Molecular FormulaC20H15N5O2S
Molecular Weight389.44 g/mol
Exact Mass389.09
IUPAC NameN-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide
SMILESC=CCn1c(NS(=O)(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc21
InChIInChI=1S/C20H15N5O2S/c1-2-12-25-19(24-28(26,27)14-8-4-3-5-9-14)15(13-21)18-20(25)23-17-11-7-6-10-16(17)22-18/h2-11,24H,1,12H2
InChIKeyFESFSIJRTMDEFH-UHFFFAOYSA-N
XLogP3.44
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-(4-amino-2-ethyl-1H-imidazo(4,5c)quinolin-1-yl)butyl)methanesulfonamide
CID 10309114
Pf-05212377
CID 46203710
1-Benzyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 2021006
2-amino-1-[2-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile
CID 853286
4-Azanyl-6-[[(1~{s})-1-[6-Fluoranyl-1-(3-Methylsulfonylphenyl)benzimidazol-2-Yl]ethyl]amino]pyrimidine-5-Carbonitrile
CID 58459197
2-amino-1-butyl-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile
CID 1666392
1-(4-fluorophenyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
CID 1915791
2-Amino-1-(4-aminophenyl)-1H-pyrrolo(2,3-b)quinoxaline-3-carbonitrile
CID 911015
2-Amino-1-(2-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 750480
2-amino-1-(3-(dimethylamino)propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile
CID 911053
2-amino-1-[3-(morpholin-4-yl)propyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile
CID 658332
N-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide
CID 2039682

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide?
The IUPAC name of N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide (CID 2335503) is N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide is C=CCn1c(NS(=O)(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc21.
What is the InChIKey of N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide?
The InChIKey is FESFSIJRTMDEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2S/c1-2-12-25-19(24-28(26,27)14-8-4-3-5-9-14)15(13-21)18-20(25)23-17-11-7-6-10-16(17)22-18/h2-11,24H,1,12H2.
What are the key properties of N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide?
N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide has a molecular weight of 389.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide is sourced from PubChem (CID 2335503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).