(3R)-1-(2-hydroxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide

C17H18N2O4S — CID 94815017

IUPAC(3R)-1-(2-hydroxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide
SMILESCc1ccc(O)c(S(=O)(=O)N2C[C@H](C(N)=O)Cc3ccccc32)c1
InChIInChI=1S/C17H18N2O4S/c1-11-6-7-15(20)16(8-11)24(22,23)19-10-13(17(18)21)9-12-4-2-3-5-14(12)19/h2-8,13,20H,9-10H2,1H3,(H2,18,21)/t13-/m1/s1
InChIKeyNRACCNBQLDWKJE-CYBMUJFWSA-N
MW346.41 g/mol
LogP1.55
Rot. Bonds3

About (3R)-1-(2-hydroxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide

(3R)-1-(2-hydroxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide (PubChem CID 94815017) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is (3R)-1-(2-hydroxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-hydroxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide
PubChem CID94815017
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name(3R)-1-(2-hydroxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide
SMILESCc1ccc(O)c(S(=O)(=O)N2C[C@H](C(N)=O)Cc3ccccc32)c1
InChIInChI=1S/C17H18N2O4S/c1-11-6-7-15(20)16(8-11)24(22,23)19-10-13(17(18)21)9-12-4-2-3-5-14(12)19/h2-8,13,20H,9-10H2,1H3,(H2,18,21)/t13-/m1/s1
InChIKeyNRACCNBQLDWKJE-CYBMUJFWSA-N
XLogP1.55
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide
CID 52523014
1-(benzenesulfonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 126480885
1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 126662522
ethane;(3R)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 159380558
1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-ol
CID 146128917
2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
CID 119958653
1-(2-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696654
1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone
CID 132532210
(3S)-1-(3-methyl-4-nitrobenzoyl)-3,4-dihydro-2H-quinoline-3-carboxamide
CID 95160382
2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenol
CID 81233664
3-[(3-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methylbenzoic acid
CID 154743631
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid
CID 166290934

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-hydroxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide?
The IUPAC name of (3R)-1-(2-hydroxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide (CID 94815017) is (3R)-1-(2-hydroxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-hydroxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide?
The canonical SMILES for (3R)-1-(2-hydroxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide is Cc1ccc(O)c(S(=O)(=O)N2C[C@H](C(N)=O)Cc3ccccc32)c1.
What is the InChIKey of (3R)-1-(2-hydroxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide?
The InChIKey is NRACCNBQLDWKJE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-11-6-7-15(20)16(8-11)24(22,23)19-10-13(17(18)21)9-12-4-2-3-5-14(12)19/h2-8,13,20H,9-10H2,1H3,(H2,18,21)/t13-/m1/s1.
What are the key properties of (3R)-1-(2-hydroxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide?
(3R)-1-(2-hydroxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-hydroxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide is sourced from PubChem (CID 94815017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).