N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

C27H25ClN4O4S — CID 59826588

IUPACN-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4cnc5ccccc5n4)c3)cc2)CC(C)O1
InChIInChI=1S/C27H25ClN4O4S/c1-17-15-32(16-18(2)36-17)37(34,35)21-10-7-19(8-11-21)27(33)30-20-9-12-23(28)22(13-20)26-14-29-24-5-3-4-6-25(24)31-26/h3-14,17-18H,15-16H2,1-2H3,(H,30,33)
InChIKeyBCHGQTQCGHONBO-UHFFFAOYSA-N
MW537.04 g/mol
LogP5.00
Rot. Bonds5

About N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 59826588) has the molecular formula C27H25ClN4O4S and a molecular weight of 537.04 g/mol. Its IUPAC name is N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
PubChem CID59826588
Molecular FormulaC27H25ClN4O4S
Molecular Weight537.04 g/mol
Exact Mass536.13
IUPAC NameN-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4cnc5ccccc5n4)c3)cc2)CC(C)O1
InChIInChI=1S/C27H25ClN4O4S/c1-17-15-32(16-18(2)36-17)37(34,35)21-10-7-19(8-11-21)27(33)30-20-9-12-23(28)22(13-20)26-14-29-24-5-3-4-6-25(24)31-26/h3-14,17-18H,15-16H2,1-2H3,(H,30,33)
InChIKeyBCHGQTQCGHONBO-UHFFFAOYSA-N
XLogP5.00
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.04
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-4-[4-chloro-2-[(5-quinoxalinylsulfonyl)amino]benzoyl]-3-methylmorpholine
CID 11293780
4-[4-Chloro-2-[(5-quinoxalinylsulfonyl)amino]benzoyl]-morpholine
CID 11305046
(S)-4-[4-chloro-2-[(5-quinoxalinylsulfonyl)amino]benzoyl]-3-methylmorpholine
CID 11442229
(3R,5S)-rel-4-[4-chloro-2-[(5-quinoxalinylsulfonyl)amino]benzoyl]-3,5-dimethylmorpholine
CID 16090653
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 4064436
(3S,5S)-4-[4-chloro-2-[(5-quinoxalinylsulfonyl)amino]benzoyl]-3,5-dimethylmorpholine
CID 16090695
(12-Chloro-6,6-dioxo-5,6-dihydro-6lambda*6*-thia-4,5-diaza-chrysen-9-yl)-morpholin-4-yl-methanone
CID 68183381
12-chloro-N-(2-methoxyethyl)-6,6-dioxo-5H-quinolino[8,7-c][1,2]benzothiazine-9-carboxamide
CID 68190288
N-[5-chloro-2-(3,5-dimethylmorpholine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide
CID 11442568
12-Chloro-6,6-dioxo-5,6-dihydro-6lambda*6*-thia-4,5-diaza-chrysene-9-carboxylic acid (2-hydroxy-1-hydroxymethyl-ethyl)-amide
CID 68190290
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 59826541
N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzenesulfonamide
CID 71534786

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (CID 59826588) is N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4cnc5ccccc5n4)c3)cc2)CC(C)O1.
What is the InChIKey of N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is BCHGQTQCGHONBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O4S/c1-17-15-32(16-18(2)36-17)37(34,35)21-10-7-19(8-11-21)27(33)30-20-9-12-23(28)22(13-20)26-14-29-24-5-3-4-6-25(24)31-26/h3-14,17-18H,15-16H2,1-2H3,(H,30,33).
What are the key properties of N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 537.04 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 59826588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).