N-(3-chloro-5,6-dimethoxy-2-pyridinyl)pyridine-3-sulfonamide

C12H12ClN3O4S — CID 140673297

IUPACN-(3-chloro-5,6-dimethoxy-2-pyridinyl)pyridine-3-sulfonamide
SMILESCOc1cc(Cl)c(NS(=O)(=O)c2cccnc2)nc1OC
InChIInChI=1S/C12H12ClN3O4S/c1-19-10-6-9(13)11(15-12(10)20-2)16-21(17,18)8-4-3-5-14-7-8/h3-7H,1-2H3,(H,15,16)
InChIKeyDDTMURPTMVDCSX-UHFFFAOYSA-N
MW329.77 g/mol
LogP1.95
Rot. Bonds5

About N-(3-chloro-5,6-dimethoxy-2-pyridinyl)pyridine-3-sulfonamide

N-(3-chloro-5,6-dimethoxy-2-pyridinyl)pyridine-3-sulfonamide (PubChem CID 140673297) has the molecular formula C12H12ClN3O4S and a molecular weight of 329.77 g/mol. Its IUPAC name is N-(3-chloro-5,6-dimethoxy-2-pyridinyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-5,6-dimethoxy-2-pyridinyl)pyridine-3-sulfonamide
PubChem CID140673297
Molecular FormulaC12H12ClN3O4S
Molecular Weight329.77 g/mol
Exact Mass329.02
IUPAC NameN-(3-chloro-5,6-dimethoxy-2-pyridinyl)pyridine-3-sulfonamide
SMILESCOc1cc(Cl)c(NS(=O)(=O)c2cccnc2)nc1OC
InChIInChI=1S/C12H12ClN3O4S/c1-19-10-6-9(13)11(15-12(10)20-2)16-21(17,18)8-4-3-5-14-7-8/h3-7H,1-2H3,(H,15,16)
InChIKeyDDTMURPTMVDCSX-UHFFFAOYSA-N
XLogP1.95
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)pyridine-3-sulfonamide
CID 110865835
N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 25048223
N-(2,5-dichlorophenyl)pyridine-3-sulfonamide
CID 16638548
N-(3,6-dichloroquinoxalin-2-yl)pyridine-3-sulfonamide
CID 142780141
N-[3-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyridine-3-sulfonamide
CID 175147145
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-3-sulfonamide
CID 166184500
3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide
CID 107469946
3,5-dichloro-N-(3-methoxy-2-pyridinyl)benzenesulfonamide
CID 154807827
3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 103943880
N-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide
CID 58436871
N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]pyridine-3-sulfonamide
CID 23515243
3-chloro-4-methoxy-N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110318123

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5,6-dimethoxy-2-pyridinyl)pyridine-3-sulfonamide?
The IUPAC name of N-(3-chloro-5,6-dimethoxy-2-pyridinyl)pyridine-3-sulfonamide (CID 140673297) is N-(3-chloro-5,6-dimethoxy-2-pyridinyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-chloro-5,6-dimethoxy-2-pyridinyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-chloro-5,6-dimethoxy-2-pyridinyl)pyridine-3-sulfonamide is COc1cc(Cl)c(NS(=O)(=O)c2cccnc2)nc1OC.
What is the InChIKey of N-(3-chloro-5,6-dimethoxy-2-pyridinyl)pyridine-3-sulfonamide?
The InChIKey is DDTMURPTMVDCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O4S/c1-19-10-6-9(13)11(15-12(10)20-2)16-21(17,18)8-4-3-5-14-7-8/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(3-chloro-5,6-dimethoxy-2-pyridinyl)pyridine-3-sulfonamide?
N-(3-chloro-5,6-dimethoxy-2-pyridinyl)pyridine-3-sulfonamide has a molecular weight of 329.77 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5,6-dimethoxy-2-pyridinyl)pyridine-3-sulfonamide is sourced from PubChem (CID 140673297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).