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

C18H21N3O3S — CID 142296583

IUPAC4-methyl-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)[C@@H](C)C(=O)N3C)cc1
InChIInChI=1S/C18H21N3O3S/c1-12-5-8-15(9-6-12)25(23,24)19-14-7-10-16-17(11-14)20(3)13(2)18(22)21(16)4/h5-11,13,19H,1-4H3/t13-/m0/s1
InChIKeyONKYMNBHDSAHII-ZDUSSCGKSA-N
MW359.45 g/mol
LogP2.60
Rot. Bonds3

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

4-methyl-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide (PubChem CID 142296583) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-methyl-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide
PubChem CID142296583
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-methyl-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)[C@@H](C)C(=O)N3C)cc1
InChIInChI=1S/C18H21N3O3S/c1-12-5-8-15(9-6-12)25(23,24)19-14-7-10-16-17(11-14)20(3)13(2)18(22)21(16)4/h5-11,13,19H,1-4H3/t13-/m0/s1
InChIKeyONKYMNBHDSAHII-ZDUSSCGKSA-N
XLogP2.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide with MolForge

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Related Compounds

2-(3-oxo-1-(toluene-4-sulfonyl)-1,2,3,4-4H-quinoxalin-2-yl)-N-phenyl-acetamide
CID 653087
4-(4-Tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 991971
N-[4-(dimethylamino)phenyl]-3-{4-[(4-isopropylphenyl)sulfonyl]piperazin-1-yl}propanamide
CID 3241036
N-[4-(Diethylamino)phenyl]-2-{4-[4-(propan-2-YL)benzenesulfonyl]piperazin-1-YL}acetamide
CID 16034807
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-propionamide
CID 10072874
Cyclopropanecarboxylic acid (3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-amide
CID 10254142
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-acetamide
CID 10343434
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-isobutyramide
CID 10367560
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-butyramide
CID 10412550
N-(1-acetyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 16823330
N-(1,3-dimethyl-2-oxo-4-propan-2-yl-3H-quinoxalin-6-yl)-4-methylbenzenesulfonamide
CID 142296520
N-[1,3-dimethyl-4-(2-methylpropyl)-2-oxo-3H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
CID 142296532

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide (CID 142296583) is 4-methyl-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)[C@@H](C)C(=O)N3C)cc1.
What is the InChIKey of 4-methyl-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide?
The InChIKey is ONKYMNBHDSAHII-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12-5-8-15(9-6-12)25(23,24)19-14-7-10-16-17(11-14)20(3)13(2)18(22)21(16)4/h5-11,13,19H,1-4H3/t13-/m0/s1.
What are the key properties of 4-methyl-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide?
4-methyl-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3S)-1,3,4-trimethyl-2-oxo-3H-quinoxalin-6-yl]benzenesulfonamide is sourced from PubChem (CID 142296583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).