3-(benzenesulfonyl)-1-cyclopropylpyrrolo[3,2-b]quinoxalin-2-amine

C19H16N4O2S — CID 4612148

IUPAC3-(benzenesulfonyl)-1-cyclopropylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1C1CC1
InChIInChI=1S/C19H16N4O2S/c20-18-17(26(24,25)13-6-2-1-3-7-13)16-19(23(18)12-10-11-12)22-15-9-5-4-8-14(15)21-16/h1-9,12H,10-11,20H2
InChIKeyNRYCOPTUAJGUTC-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.33
Rot. Bonds3

About 3-(benzenesulfonyl)-1-cyclopropylpyrrolo[3,2-b]quinoxalin-2-amine

3-(benzenesulfonyl)-1-cyclopropylpyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 4612148) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-cyclopropylpyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-cyclopropylpyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID4612148
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name3-(benzenesulfonyl)-1-cyclopropylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1C1CC1
InChIInChI=1S/C19H16N4O2S/c20-18-17(26(24,25)13-6-2-1-3-7-13)16-19(23(18)12-10-11-12)22-15-9-5-4-8-14(15)21-16/h1-9,12H,10-11,20H2
InChIKeyNRYCOPTUAJGUTC-UHFFFAOYSA-N
XLogP3.33
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(benzenesulfonyl)-1-cyclopropylpyrrolo[3,2-b]quinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 2021006
4-Azanyl-6-[[(1~{s})-1-[6-Fluoranyl-1-(3-Methylsulfonylphenyl)benzimidazol-2-Yl]ethyl]amino]pyrimidine-5-Carbonitrile
CID 58459197
1-(4-fluorophenyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
CID 1915791
1-butyl-3-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
CID 1886648
N-[1-Butyl-3-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]-benzenesulfonamide
CID 1930124
N-[1-Allyl-3-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]-benzenesulfonamide
CID 1942142
N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide
CID 2335503
2-Cyclopropyl-4-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one
CID 23517130
4-amino-6-[[(1S)-1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 58459190
4-amino-6-[[(1S)-1-[6-fluoro-1-(2-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 58459230
4-amino-6-[[(1R)-1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 58459282
9-[1-(1,1-Dioxo-2-phenyl-1lambda6,2,4-benzothiadiazin-3-yl)ethyl]purin-6-amine
CID 130337561

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-cyclopropylpyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-1-cyclopropylpyrrolo[3,2-b]quinoxalin-2-amine (CID 4612148) is 3-(benzenesulfonyl)-1-cyclopropylpyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-1-cyclopropylpyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-1-cyclopropylpyrrolo[3,2-b]quinoxalin-2-amine is Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1C1CC1.
What is the InChIKey of 3-(benzenesulfonyl)-1-cyclopropylpyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is NRYCOPTUAJGUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c20-18-17(26(24,25)13-6-2-1-3-7-13)16-19(23(18)12-10-11-12)22-15-9-5-4-8-14(15)21-16/h1-9,12H,10-11,20H2.
What are the key properties of 3-(benzenesulfonyl)-1-cyclopropylpyrrolo[3,2-b]quinoxalin-2-amine?
3-(benzenesulfonyl)-1-cyclopropylpyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 364.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-cyclopropylpyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 4612148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).