N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide

C12H14N2O4S — CID 115755300

IUPACN-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
SMILESO=S(=O)(NC(CO)CO)c1cccc2ncccc12
InChIInChI=1S/C12H14N2O4S/c15-7-9(8-16)14-19(17,18)12-5-1-4-11-10(12)3-2-6-13-11/h1-6,9,14-16H,7-8H2
InChIKeyKHBCXWPGCAHBHF-UHFFFAOYSA-N
MW282.32 g/mol
LogP-0.13
Rot. Bonds5

About N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide

N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide (PubChem CID 115755300) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
PubChem CID115755300
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC NameN-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
SMILESO=S(=O)(NC(CO)CO)c1cccc2ncccc12
InChIInChI=1S/C12H14N2O4S/c15-7-9(8-16)14-19(17,18)12-5-1-4-11-10(12)3-2-6-13-11/h1-6,9,14-16H,7-8H2
InChIKeyKHBCXWPGCAHBHF-UHFFFAOYSA-N
XLogP-0.13
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
CID 103918665
N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide
CID 97096071
(2S)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104934981
(2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104933783
N-(1-hydroxy-4-methylpentan-3-yl)quinoline-5-sulfonamide
CID 103836279
N-(1-chloropropan-2-yl)quinoline-5-sulfonamide
CID 104774167
(2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide
CID 94812620
N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide
CID 166368628
5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide
CID 124680579
N-(6-hydroxyhexyl)quinoline-5-sulfonamide
CID 103918476
2-(quinolin-5-ylsulfonylamino)pentanethioamide
CID 104773636
N-(1-cyanobutyl)quinoline-5-sulfonamide
CID 115755821

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide (CID 115755300) is N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide is O=S(=O)(NC(CO)CO)c1cccc2ncccc12.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide?
The InChIKey is KHBCXWPGCAHBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c15-7-9(8-16)14-19(17,18)12-5-1-4-11-10(12)3-2-6-13-11/h1-6,9,14-16H,7-8H2.
What are the key properties of N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide?
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide has a molecular weight of 282.32 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide is sourced from PubChem (CID 115755300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).