4-(benzenesulfonamido)-N-methylquinoline-2-carboxamide

C17H15N3O3S — CID 154447368

IUPAC4-(benzenesulfonamido)-N-methylquinoline-2-carboxamide
SMILESCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C17H15N3O3S/c1-18-17(21)16-11-15(13-9-5-6-10-14(13)19-16)20-24(22,23)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,21)(H,19,20)
InChIKeyVGIKGEBVSFERBJ-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.40
Rot. Bonds4

About 4-(benzenesulfonamido)-N-methylquinoline-2-carboxamide

4-(benzenesulfonamido)-N-methylquinoline-2-carboxamide (PubChem CID 154447368) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-methylquinoline-2-carboxamide
PubChem CID154447368
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name4-(benzenesulfonamido)-N-methylquinoline-2-carboxamide
SMILESCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C17H15N3O3S/c1-18-17(21)16-11-15(13-9-5-6-10-14(13)19-16)20-24(22,23)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,21)(H,19,20)
InChIKeyVGIKGEBVSFERBJ-UHFFFAOYSA-N
XLogP2.40
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydrazinyl-N-propan-2-ylquinoline-2-carboxamide
CID 63375107
1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea
CID 21177304
4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid
CID 63374041
N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide
CID 518129
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide
CID 63377460
N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide
CID 63377555
N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide
CID 19431161
N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide
CID 63375251
4-(methylamino)-N-(2-methylpyrazol-3-yl)quinoline-2-carboxamide
CID 63375551
4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide
CID 63963158
4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide
CID 114389478

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-methylquinoline-2-carboxamide?
The IUPAC name of 4-(benzenesulfonamido)-N-methylquinoline-2-carboxamide (CID 154447368) is 4-(benzenesulfonamido)-N-methylquinoline-2-carboxamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-methylquinoline-2-carboxamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-methylquinoline-2-carboxamide is CNC(=O)c1cc(NS(=O)(=O)c2ccccc2)c2ccccc2n1.
What is the InChIKey of 4-(benzenesulfonamido)-N-methylquinoline-2-carboxamide?
The InChIKey is VGIKGEBVSFERBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-18-17(21)16-11-15(13-9-5-6-10-14(13)19-16)20-24(22,23)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-(benzenesulfonamido)-N-methylquinoline-2-carboxamide?
4-(benzenesulfonamido)-N-methylquinoline-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 154447368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).