3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide

C18H16ClN3O3S — CID 57493723

IUPAC3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ncccc1OCc1cccnc1
InChIInChI=1S/C18H16ClN3O3S/c1-13-15(19)6-2-8-17(13)26(23,24)22-18-16(7-4-10-21-18)25-12-14-5-3-9-20-11-14/h2-11H,12H2,1H3,(H,21,22)
InChIKeyIRQLDHSOKFAFOA-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.82
Rot. Bonds6

About 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide

3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide (PubChem CID 57493723) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide
PubChem CID57493723
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ncccc1OCc1cccnc1
InChIInChI=1S/C18H16ClN3O3S/c1-13-15(19)6-2-8-17(13)26(23,24)22-18-16(7-4-10-21-18)25-12-14-5-3-9-20-11-14/h2-11H,12H2,1H3,(H,21,22)
InChIKeyIRQLDHSOKFAFOA-UHFFFAOYSA-N
XLogP3.82
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide
CID 23122881
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide
CID 23122769
3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide
CID 23122763
3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide
CID 23122658
N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 10239030
3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide
CID 122301667
N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 2728379
3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrimidin-4-yl]benzenesulfonamide
CID 23122857
3-chloro-N-[5-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]pyrimidin-4-yl]-2-methylbenzenesulfonamide
CID 23122477
3-chloro-N-(6-chloro-3-methoxypyrazin-2-yl)-2-methylbenzenesulfonamide
CID 10150058
3-chloro-N-[3-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-2-yl]-2-methylbenzenesulfonamide
CID 23122823
3-chloro-N-[4-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide
CID 23122670

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide (CID 57493723) is 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ncccc1OCc1cccnc1.
What is the InChIKey of 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide?
The InChIKey is IRQLDHSOKFAFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-13-15(19)6-2-8-17(13)26(23,24)22-18-16(7-4-10-21-18)25-12-14-5-3-9-20-11-14/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide?
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide has a molecular weight of 389.86 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 57493723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).