1-(1,2-benzoxazol-3-yl)-N-quinolin-5-ylmethanesulfonamide

C17H13N3O3S — CID 90624719

IUPAC1-(1,2-benzoxazol-3-yl)-N-quinolin-5-ylmethanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)Nc1cccc2ncccc12
InChIInChI=1S/C17H13N3O3S/c21-24(22,11-16-13-5-1-2-9-17(13)23-19-16)20-15-8-3-7-14-12(15)6-4-10-18-14/h1-10,20H,11H2
InChIKeyYCGKKCXMIAXLAM-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.32
Rot. Bonds4

About 1-(1,2-benzoxazol-3-yl)-N-quinolin-5-ylmethanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-quinolin-5-ylmethanesulfonamide (PubChem CID 90624719) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-quinolin-5-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-quinolin-5-ylmethanesulfonamide
PubChem CID90624719
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-quinolin-5-ylmethanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)Nc1cccc2ncccc12
InChIInChI=1S/C17H13N3O3S/c21-24(22,11-16-13-5-1-2-9-17(13)23-19-16)20-15-8-3-7-14-12(15)6-4-10-18-14/h1-10,20H,11H2
InChIKeyYCGKKCXMIAXLAM-UHFFFAOYSA-N
XLogP3.32
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-quinolin-5-ylmethanesulfonamide
CID 35282433
4-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N-pyrimidin-2-ylbenzenesulfonamide
CID 72719854
1-(1,2-benzoxazol-3-yl)-N-(4-methylphenyl)methanesulfonamide
CID 90624521
1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide
CID 90624437
1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide
CID 90624474
1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide
CID 90624669
4-chloro-N-quinolin-5-ylbutane-1-sulfonamide
CID 116814822
1-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)methanesulfonamide
CID 90624516
1-(1,2-benzoxazol-3-yl)-N-(2-ethoxypyrimidin-5-yl)methanesulfonamide
CID 122302144
1,2-benzoxazol-3-ylmethylsulfonylurea
CID 12507017
1-(1,2-benzoxazol-3-yl)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methanesulfonamide
CID 121149492
N-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide
CID 72719846

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-quinolin-5-ylmethanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-quinolin-5-ylmethanesulfonamide (CID 90624719) is 1-(1,2-benzoxazol-3-yl)-N-quinolin-5-ylmethanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-quinolin-5-ylmethanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-quinolin-5-ylmethanesulfonamide is O=S(=O)(Cc1noc2ccccc12)Nc1cccc2ncccc12.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-quinolin-5-ylmethanesulfonamide?
The InChIKey is YCGKKCXMIAXLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-24(22,11-16-13-5-1-2-9-17(13)23-19-16)20-15-8-3-7-14-12(15)6-4-10-18-14/h1-10,20H,11H2.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-quinolin-5-ylmethanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-quinolin-5-ylmethanesulfonamide has a molecular weight of 339.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-quinolin-5-ylmethanesulfonamide is sourced from PubChem (CID 90624719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).