N-(5-chloroquinoxalin-2-yl)-3-methoxybenzenesulfonamide

C15H12ClN3O3S — CID 167937890

IUPACN-(5-chloroquinoxalin-2-yl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cnc3c(Cl)cccc3n2)c1
InChIInChI=1S/C15H12ClN3O3S/c1-22-10-4-2-5-11(8-10)23(20,21)19-14-9-17-15-12(16)6-3-7-13(15)18-14/h2-9H,1H3,(H,18,19)
InChIKeyNNTWTFKAGAUWNO-UHFFFAOYSA-N
MW349.80 g/mol
LogP3.09
Rot. Bonds4

About N-(5-chloroquinoxalin-2-yl)-3-methoxybenzenesulfonamide

N-(5-chloroquinoxalin-2-yl)-3-methoxybenzenesulfonamide (PubChem CID 167937890) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is N-(5-chloroquinoxalin-2-yl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloroquinoxalin-2-yl)-3-methoxybenzenesulfonamide
PubChem CID167937890
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC NameN-(5-chloroquinoxalin-2-yl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cnc3c(Cl)cccc3n2)c1
InChIInChI=1S/C15H12ClN3O3S/c1-22-10-4-2-5-11(8-10)23(20,21)19-14-9-17-15-12(16)6-3-7-13(15)18-14/h2-9H,1H3,(H,18,19)
InChIKeyNNTWTFKAGAUWNO-UHFFFAOYSA-N
XLogP3.09
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide
CID 103775610
N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide
CID 81260297
3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135064
N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide
CID 143906940
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951
4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide
CID 71671387
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide
CID 47419004
8-chloro-3-methoxyquinoline
CID 11074271
3-methoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121025164

Frequently Asked Questions

What is the IUPAC name of N-(5-chloroquinoxalin-2-yl)-3-methoxybenzenesulfonamide?
The IUPAC name of N-(5-chloroquinoxalin-2-yl)-3-methoxybenzenesulfonamide (CID 167937890) is N-(5-chloroquinoxalin-2-yl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloroquinoxalin-2-yl)-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-chloroquinoxalin-2-yl)-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)Nc2cnc3c(Cl)cccc3n2)c1.
What is the InChIKey of N-(5-chloroquinoxalin-2-yl)-3-methoxybenzenesulfonamide?
The InChIKey is NNTWTFKAGAUWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c1-22-10-4-2-5-11(8-10)23(20,21)19-14-9-17-15-12(16)6-3-7-13(15)18-14/h2-9H,1H3,(H,18,19).
What are the key properties of N-(5-chloroquinoxalin-2-yl)-3-methoxybenzenesulfonamide?
N-(5-chloroquinoxalin-2-yl)-3-methoxybenzenesulfonamide has a molecular weight of 349.80 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloroquinoxalin-2-yl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 167937890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).