1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide

C17H17N3O2S — CID 110672324

IUPAC1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCc2ccc3nccnc3c2)c1
InChIInChI=1S/C17H17N3O2S/c1-13-3-2-4-15(9-13)12-23(21,22)20-11-14-5-6-16-17(10-14)19-8-7-18-16/h2-10,20H,11-12H2,1H3
InChIKeyHYIRCFXDYNTJEQ-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.56
Rot. Bonds5

About 1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide

1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide (PubChem CID 110672324) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide
PubChem CID110672324
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCc2ccc3nccnc3c2)c1
InChIInChI=1S/C17H17N3O2S/c1-13-3-2-4-15(9-13)12-23(21,22)20-11-14-5-6-16-17(10-14)19-8-7-18-16/h2-10,20H,11-12H2,1H3
InChIKeyHYIRCFXDYNTJEQ-UHFFFAOYSA-N
XLogP2.56
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine
CID 46344501
N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide
CID 92672631
1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 66917095
3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672345
N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110785872
4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672303
1-[(dimethylsulfamoylamino)methyl]-3-methylbenzene
CID 35383494
1-(3-methylphenyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122353250
1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110318269
1-(3-methylphenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]methanesulfonamide
CID 90555118
N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110728958
N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide
CID 119989766

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide (CID 110672324) is 1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)NCc2ccc3nccnc3c2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide?
The InChIKey is HYIRCFXDYNTJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-13-3-2-4-15(9-13)12-23(21,22)20-11-14-5-6-16-17(10-14)19-8-7-18-16/h2-10,20H,11-12H2,1H3.
What are the key properties of 1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide?
1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide is sourced from PubChem (CID 110672324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).