N-(3-chloroquinoxalin-2-yl)-3-methylbutane-1-sulfonamide

C13H16ClN3O2S — CID 102990258

IUPACN-(3-chloroquinoxalin-2-yl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C13H16ClN3O2S/c1-9(2)7-8-20(18,19)17-13-12(14)15-10-5-3-4-6-11(10)16-13/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyCIWREPCMIBCRPZ-UHFFFAOYSA-N
MW313.81 g/mol
LogP3.07
Rot. Bonds5

About N-(3-chloroquinoxalin-2-yl)-3-methylbutane-1-sulfonamide

N-(3-chloroquinoxalin-2-yl)-3-methylbutane-1-sulfonamide (PubChem CID 102990258) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is N-(3-chloroquinoxalin-2-yl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloroquinoxalin-2-yl)-3-methylbutane-1-sulfonamide
PubChem CID102990258
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC NameN-(3-chloroquinoxalin-2-yl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C13H16ClN3O2S/c1-9(2)7-8-20(18,19)17-13-12(14)15-10-5-3-4-6-11(10)16-13/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyCIWREPCMIBCRPZ-UHFFFAOYSA-N
XLogP3.07
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloroquinoxalin-2-yl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(3-chloroquinoxalin-2-yl)-3-methylbutane-1-sulfonamide (CID 102990258) is N-(3-chloroquinoxalin-2-yl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-chloroquinoxalin-2-yl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(3-chloroquinoxalin-2-yl)-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)Nc1nc2ccccc2nc1Cl.
What is the InChIKey of N-(3-chloroquinoxalin-2-yl)-3-methylbutane-1-sulfonamide?
The InChIKey is CIWREPCMIBCRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-9(2)7-8-20(18,19)17-13-12(14)15-10-5-3-4-6-11(10)16-13/h3-6,9H,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-(3-chloroquinoxalin-2-yl)-3-methylbutane-1-sulfonamide?
N-(3-chloroquinoxalin-2-yl)-3-methylbutane-1-sulfonamide has a molecular weight of 313.81 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroquinoxalin-2-yl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 102990258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).