2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide

C19H21ClN2O6S2 — CID 55873945

IUPAC2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)ccc1Cl
InChIInChI=1S/C19H21ClN2O6S2/c1-21(28-2)30(26,27)18-12-14(6-8-16(18)20)19(23)22-10-4-5-13-11-15(29(3,24)25)7-9-17(13)22/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyDQGUJTLJLNZGDE-UHFFFAOYSA-N
MW472.97 g/mol
LogP2.52
Rot. Bonds5

About 2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide

2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide (PubChem CID 55873945) has the molecular formula C19H21ClN2O6S2 and a molecular weight of 472.97 g/mol. Its IUPAC name is 2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide
PubChem CID55873945
Molecular FormulaC19H21ClN2O6S2
Molecular Weight472.97 g/mol
Exact Mass472.05
IUPAC Name2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)ccc1Cl
InChIInChI=1S/C19H21ClN2O6S2/c1-21(28-2)30(26,27)18-12-14(6-8-16(18)20)19(23)22-10-4-5-13-11-15(29(3,24)25)7-9-17(13)22/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyDQGUJTLJLNZGDE-UHFFFAOYSA-N
XLogP2.52
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 51147451
N,N-diethyl-1-(3-methylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435425
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 55661323
N-methoxy-N-methyl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide
CID 31843707
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 55661488
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 47026550
(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55873819
2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide
CID 51204778
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone
CID 55873057
(4-ethoxy-3-nitrophenyl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55872658
(4-chloro-2-iodophenyl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55874081
1-(3,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765696

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide (CID 55873945) is 2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide is CON(C)S(=O)(=O)c1cc(C(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)ccc1Cl.
What is the InChIKey of 2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide?
The InChIKey is DQGUJTLJLNZGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O6S2/c1-21(28-2)30(26,27)18-12-14(6-8-16(18)20)19(23)22-10-4-5-13-11-15(29(3,24)25)7-9-17(13)22/h6-9,11-12H,4-5,10H2,1-3H3.
What are the key properties of 2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide?
2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide has a molecular weight of 472.97 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55873945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).