N-methyl-4-(methylamino)quinoline-3-sulfonamide

C11H13N3O2S — CID 10966954

IUPACN-methyl-4-(methylamino)quinoline-3-sulfonamide
SMILESCNc1c(S(=O)(=O)NC)cnc2ccccc12
InChIInChI=1S/C11H13N3O2S/c1-12-11-8-5-3-4-6-9(8)14-7-10(11)17(15,16)13-2/h3-7,13H,1-2H3,(H,12,14)
InChIKeyKFYPTZPQEQMNAW-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.18
Rot. Bonds3

About N-methyl-4-(methylamino)quinoline-3-sulfonamide

N-methyl-4-(methylamino)quinoline-3-sulfonamide (PubChem CID 10966954) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-methyl-4-(methylamino)quinoline-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)quinoline-3-sulfonamide
PubChem CID10966954
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-methyl-4-(methylamino)quinoline-3-sulfonamide
SMILESCNc1c(S(=O)(=O)NC)cnc2ccccc12
InChIInChI=1S/C11H13N3O2S/c1-12-11-8-5-3-4-6-9(8)14-7-10(11)17(15,16)13-2/h3-7,13H,1-2H3,(H,12,14)
InChIKeyKFYPTZPQEQMNAW-UHFFFAOYSA-N
XLogP1.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-methylquinoline-3-sulfonamide
CID 15643029
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-chloro-N-ethylquinoline-3-sulfonamide
CID 15643030
4-(4-methylanilino)quinoline-3-sulfonic acid
CID 15306585
N-methyl-4-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-sulfonamide
CID 177249229
4-ethoxy-3-methylsulfonylquinoline
CID 141129926
2-chloro-N-methyl-4-(methylamino)pyrimidine-5-sulfonamide
CID 21077585
4-[[4-(methylsulfonylmethyl)phenyl]methylamino]quinoline-3-carbonitrile
CID 133319712
4-N-(2-methylcyclopropyl)quinoline-3,4-diamine
CID 103963223
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
3-(aminomethyl)-N-ethylquinolin-4-amine
CID 62105650
4-[2-(methanesulfonamido)ethylamino]quinoline-3-carbothioamide
CID 43669673

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)quinoline-3-sulfonamide?
The IUPAC name of N-methyl-4-(methylamino)quinoline-3-sulfonamide (CID 10966954) is N-methyl-4-(methylamino)quinoline-3-sulfonamide.
What is the SMILES notation for N-methyl-4-(methylamino)quinoline-3-sulfonamide?
The canonical SMILES for N-methyl-4-(methylamino)quinoline-3-sulfonamide is CNc1c(S(=O)(=O)NC)cnc2ccccc12.
What is the InChIKey of N-methyl-4-(methylamino)quinoline-3-sulfonamide?
The InChIKey is KFYPTZPQEQMNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-12-11-8-5-3-4-6-9(8)14-7-10(11)17(15,16)13-2/h3-7,13H,1-2H3,(H,12,14).
What are the key properties of N-methyl-4-(methylamino)quinoline-3-sulfonamide?
N-methyl-4-(methylamino)quinoline-3-sulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)quinoline-3-sulfonamide is sourced from PubChem (CID 10966954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).