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

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).