2-chloro-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide

C17H18ClN3O3S — CID 142296611

IUPAC2-chloro-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide
SMILESC[C@H]1C(=O)N(C)c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2N1C
InChIInChI=1S/C17H18ClN3O3S/c1-11-17(22)21(3)14-9-8-12(10-15(14)20(11)2)19-25(23,24)16-7-5-4-6-13(16)18/h4-11,19H,1-3H3/t11-/m0/s1
InChIKeyRGCXKMHNDZTXOF-NSHDSACASA-N
MW379.87 g/mol
LogP2.94
Rot. Bonds3

About 2-chloro-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide

2-chloro-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide (PubChem CID 142296611) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 2-chloro-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide
PubChem CID142296611
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name2-chloro-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide
SMILESC[C@H]1C(=O)N(C)c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2N1C
InChIInChI=1S/C17H18ClN3O3S/c1-11-17(22)21(3)14-9-8-12(10-15(14)20(11)2)19-25(23,24)16-7-5-4-6-13(16)18/h4-11,19H,1-3H3/t11-/m0/s1
InChIKeyRGCXKMHNDZTXOF-NSHDSACASA-N
XLogP2.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide (CID 142296611) is 2-chloro-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide is C[C@H]1C(=O)N(C)c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2N1C.
What is the InChIKey of 2-chloro-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide?
The InChIKey is RGCXKMHNDZTXOF-NSHDSACASA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-11-17(22)21(3)14-9-8-12(10-15(14)20(11)2)19-25(23,24)16-7-5-4-6-13(16)18/h4-11,19H,1-3H3/t11-/m0/s1.
What are the key properties of 2-chloro-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide?
2-chloro-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide has a molecular weight of 379.87 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide is sourced from PubChem (CID 142296611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).