4-[(quinolin-2-ylamino)methyl]benzenesulfonamide

C16H15N3O2S — CID 4825855

IUPAC4-[(quinolin-2-ylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ccc3ccccc3n2)cc1
InChIInChI=1S/C16H15N3O2S/c17-22(20,21)14-8-5-12(6-9-14)11-18-16-10-7-13-3-1-2-4-15(13)19-16/h1-10H,11H2,(H,18,19)(H2,17,20,21)
InChIKeyKWJCYXHVLFJISS-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.49
Rot. Bonds4

About 4-[(quinolin-2-ylamino)methyl]benzenesulfonamide

4-[(quinolin-2-ylamino)methyl]benzenesulfonamide (PubChem CID 4825855) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-[(quinolin-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(quinolin-2-ylamino)methyl]benzenesulfonamide
PubChem CID4825855
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-[(quinolin-2-ylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ccc3ccccc3n2)cc1
InChIInChI=1S/C16H15N3O2S/c17-22(20,21)14-8-5-12(6-9-14)11-18-16-10-7-13-3-1-2-4-15(13)19-16/h1-10H,11H2,(H,18,19)(H2,17,20,21)
InChIKeyKWJCYXHVLFJISS-UHFFFAOYSA-N
XLogP2.49
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(quinolin-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of 4-[(quinolin-2-ylamino)methyl]benzenesulfonamide (CID 4825855) is 4-[(quinolin-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(quinolin-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(quinolin-2-ylamino)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2ccc3ccccc3n2)cc1.
What is the InChIKey of 4-[(quinolin-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is KWJCYXHVLFJISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c17-22(20,21)14-8-5-12(6-9-14)11-18-16-10-7-13-3-1-2-4-15(13)19-16/h1-10H,11H2,(H,18,19)(H2,17,20,21).
What are the key properties of 4-[(quinolin-2-ylamino)methyl]benzenesulfonamide?
4-[(quinolin-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(quinolin-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 4825855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).