2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide

C25H22ClN3O4S — CID 41226143

IUPAC2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
SMILESO=C1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N[C@@H]3CCCc4ccccc43)c2)c2ccccc2N1
InChIInChI=1S/C25H22ClN3O4S/c26-19-13-12-17(25(31)29-15-24(30)27-21-9-3-4-11-22(21)29)14-23(19)34(32,33)28-20-10-5-7-16-6-1-2-8-18(16)20/h1-4,6,8-9,11-14,20,28H,5,7,10,15H2,(H,27,30)/t20-/m1/s1
InChIKeyFNPQQCXOAJQNRY-HXUWFJFHSA-N
MW495.99 g/mol
LogP4.29
Rot. Bonds4

About 2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide

2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide (PubChem CID 41226143) has the molecular formula C25H22ClN3O4S and a molecular weight of 495.99 g/mol. Its IUPAC name is 2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
PubChem CID41226143
Molecular FormulaC25H22ClN3O4S
Molecular Weight495.99 g/mol
Exact Mass495.10
IUPAC Name2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
SMILESO=C1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N[C@@H]3CCCc4ccccc43)c2)c2ccccc2N1
InChIInChI=1S/C25H22ClN3O4S/c26-19-13-12-17(25(31)29-15-24(30)27-21-9-3-4-11-22(21)29)14-23(19)34(32,33)28-20-10-5-7-16-6-1-2-8-18(16)20/h1-4,6,8-9,11-14,20,28H,5,7,10,15H2,(H,27,30)/t20-/m1/s1
InChIKeyFNPQQCXOAJQNRY-HXUWFJFHSA-N
XLogP4.29
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide
CID 22582458
4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide
CID 40958226
4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863960
4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 63195251
4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide
CID 28935901
3-oxo-N-[(2R)-1-oxo-3-phenyl-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl]-2,4-dihydroquinoxaline-1-carboxamide
CID 51523469
1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide
CID 46504145
4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16802704
4-[4-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43333513
4-[3-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43156396
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide (CID 41226143) is 2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide is O=C1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N[C@@H]3CCCc4ccccc43)c2)c2ccccc2N1.
What is the InChIKey of 2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The InChIKey is FNPQQCXOAJQNRY-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H22ClN3O4S/c26-19-13-12-17(25(31)29-15-24(30)27-21-9-3-4-11-22(21)29)14-23(19)34(32,33)28-20-10-5-7-16-6-1-2-8-18(16)20/h1-4,6,8-9,11-14,20,28H,5,7,10,15H2,(H,27,30)/t20-/m1/s1.
What are the key properties of 2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide has a molecular weight of 495.99 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 41226143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).