4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide

C17H17N3O3S — CID 110435636

IUPAC4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
SMILESCOc1ccc2c(Nc3ccc(S(N)(=O)=O)cc3)cc(C)nc2c1
InChIInChI=1S/C17H17N3O3S/c1-11-9-16(15-8-5-13(23-2)10-17(15)19-11)20-12-3-6-14(7-4-12)24(18,21)22/h3-10H,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyCGNGYVSMEMMDOZ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.94
Rot. Bonds4

About 4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide

4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide (PubChem CID 110435636) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
PubChem CID110435636
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
SMILESCOc1ccc2c(Nc3ccc(S(N)(=O)=O)cc3)cc(C)nc2c1
InChIInChI=1S/C17H17N3O3S/c1-11-9-16(15-8-5-13(23-2)10-17(15)19-11)20-12-3-6-14(7-4-12)24(18,21)22/h3-10H,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyCGNGYVSMEMMDOZ-UHFFFAOYSA-N
XLogP2.94
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide (CID 110435636) is 4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide is COc1ccc2c(Nc3ccc(S(N)(=O)=O)cc3)cc(C)nc2c1.
What is the InChIKey of 4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide?
The InChIKey is CGNGYVSMEMMDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-9-16(15-8-5-13(23-2)10-17(15)19-11)20-12-3-6-14(7-4-12)24(18,21)22/h3-10H,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of 4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide?
4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 110435636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).