N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide

C19H20ClN3O2S — CID 2392249

IUPACN-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide
SMILESCCCCN(c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20ClN3O2S/c1-3-4-13-23(26(24,25)15-11-9-14(2)10-12-15)19-18(20)21-16-7-5-6-8-17(16)22-19/h5-12H,3-4,13H2,1-2H3
InChIKeyFCSYXBYCCWBYSU-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.59
Rot. Bonds6

About N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide

N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide (PubChem CID 2392249) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide
PubChem CID2392249
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC NameN-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide
SMILESCCCCN(c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20ClN3O2S/c1-3-4-13-23(26(24,25)15-11-9-14(2)10-12-15)19-18(20)21-16-7-5-6-8-17(16)22-19/h5-12H,3-4,13H2,1-2H3
InChIKeyFCSYXBYCCWBYSU-UHFFFAOYSA-N
XLogP4.59
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide (CID 2392249) is N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide is CCCCN(c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is FCSYXBYCCWBYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-3-4-13-23(26(24,25)15-11-9-14(2)10-12-15)19-18(20)21-16-7-5-6-8-17(16)22-19/h5-12H,3-4,13H2,1-2H3.
What are the key properties of N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide?
N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 389.91 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 2392249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).