3-[(6,7-dimethoxyquinoxalin-2-yl)amino]-4-methylbenzenesulfonamide

C17H18N4O4S — CID 167288063

IUPAC3-[(6,7-dimethoxyquinoxalin-2-yl)amino]-4-methylbenzenesulfonamide
SMILESCOc1cc2ncc(Nc3cc(S(N)(=O)=O)ccc3C)nc2cc1OC
InChIInChI=1S/C17H18N4O4S/c1-10-4-5-11(26(18,22)23)6-12(10)20-17-9-19-13-7-15(24-2)16(25-3)8-14(13)21-17/h4-9H,1-3H3,(H,20,21)(H2,18,22,23)
InChIKeyLTIMCEYRZCHFGX-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.35
Rot. Bonds5

About 3-[(6,7-dimethoxyquinoxalin-2-yl)amino]-4-methylbenzenesulfonamide

3-[(6,7-dimethoxyquinoxalin-2-yl)amino]-4-methylbenzenesulfonamide (PubChem CID 167288063) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-[(6,7-dimethoxyquinoxalin-2-yl)amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(6,7-dimethoxyquinoxalin-2-yl)amino]-4-methylbenzenesulfonamide
PubChem CID167288063
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name3-[(6,7-dimethoxyquinoxalin-2-yl)amino]-4-methylbenzenesulfonamide
SMILESCOc1cc2ncc(Nc3cc(S(N)(=O)=O)ccc3C)nc2cc1OC
InChIInChI=1S/C17H18N4O4S/c1-10-4-5-11(26(18,22)23)6-12(10)20-17-9-19-13-7-15(24-2)16(25-3)8-14(13)21-17/h4-9H,1-3H3,(H,20,21)(H2,18,22,23)
InChIKeyLTIMCEYRZCHFGX-UHFFFAOYSA-N
XLogP2.35
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethyl]-2-methoxybenzenesulfonamide
CID 133463044
CID 118692692
CID 118692692
(2-methyl-5-sulfamoylphenyl)thiourea
CID 169356925
4-methoxyquinoline-6-sulfonamide
CID 170007480
N-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 139233455
3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide
CID 62536999
3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 167783043
N-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide
CID 166565316
4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
CID 62747165
3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide
CID 43744206
ethyl N-(2-methyl-5-sulfamoylphenyl)carbamate
CID 61063184
3-(cyclopropylamino)-4-methoxybenzenesulfonamide
CID 103439129

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dimethoxyquinoxalin-2-yl)amino]-4-methylbenzenesulfonamide?
The IUPAC name of 3-[(6,7-dimethoxyquinoxalin-2-yl)amino]-4-methylbenzenesulfonamide (CID 167288063) is 3-[(6,7-dimethoxyquinoxalin-2-yl)amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(6,7-dimethoxyquinoxalin-2-yl)amino]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[(6,7-dimethoxyquinoxalin-2-yl)amino]-4-methylbenzenesulfonamide is COc1cc2ncc(Nc3cc(S(N)(=O)=O)ccc3C)nc2cc1OC.
What is the InChIKey of 3-[(6,7-dimethoxyquinoxalin-2-yl)amino]-4-methylbenzenesulfonamide?
The InChIKey is LTIMCEYRZCHFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-10-4-5-11(26(18,22)23)6-12(10)20-17-9-19-13-7-15(24-2)16(25-3)8-14(13)21-17/h4-9H,1-3H3,(H,20,21)(H2,18,22,23).
What are the key properties of 3-[(6,7-dimethoxyquinoxalin-2-yl)amino]-4-methylbenzenesulfonamide?
3-[(6,7-dimethoxyquinoxalin-2-yl)amino]-4-methylbenzenesulfonamide has a molecular weight of 374.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-dimethoxyquinoxalin-2-yl)amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 167288063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).