3-chloro-N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methylsulfonylbenzenesulfonamide

C19H17ClN2O5S2 — CID 69347670

IUPAC3-chloro-N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methylsulfonylbenzenesulfonamide
SMILESCOc1ccc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3S(C)(=O)=O)nc2)cc1
InChIInChI=1S/C19H17ClN2O5S2/c1-27-15-9-6-13(7-10-15)14-8-11-18(21-12-14)22-29(25,26)17-5-3-4-16(20)19(17)28(2,23)24/h3-12H,1-2H3,(H,21,22)
InChIKeyGEXITDXWLNFZKD-UHFFFAOYSA-N
MW452.94 g/mol
LogP3.61
Rot. Bonds6

About 3-chloro-N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methylsulfonylbenzenesulfonamide

3-chloro-N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methylsulfonylbenzenesulfonamide (PubChem CID 69347670) has the molecular formula C19H17ClN2O5S2 and a molecular weight of 452.94 g/mol. Its IUPAC name is 3-chloro-N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methylsulfonylbenzenesulfonamide
PubChem CID69347670
Molecular FormulaC19H17ClN2O5S2
Molecular Weight452.94 g/mol
Exact Mass452.03
IUPAC Name3-chloro-N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methylsulfonylbenzenesulfonamide
SMILESCOc1ccc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3S(C)(=O)=O)nc2)cc1
InChIInChI=1S/C19H17ClN2O5S2/c1-27-15-9-6-13(7-10-15)14-8-11-18(21-12-14)22-29(25,26)17-5-3-4-16(20)19(17)28(2,23)24/h3-12H,1-2H3,(H,21,22)
InChIKeyGEXITDXWLNFZKD-UHFFFAOYSA-N
XLogP3.61
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dichloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 9330124
2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 25035216
3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide
CID 122301667
2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide
CID 59168213
2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113034036
N-(5-methoxy-2-pyridinyl)methanesulfonamide
CID 67233634
N-[5-(2,3-dichlorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide
CID 11618445
2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide
CID 113025271
3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 68842273
5-chloro-N-(5-phenyl-2-pyridinyl)thiophene-2-sulfonamide
CID 110634676
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methylsulfonylbenzenesulfonamide (CID 69347670) is 3-chloro-N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methylsulfonylbenzenesulfonamide is COc1ccc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3S(C)(=O)=O)nc2)cc1.
What is the InChIKey of 3-chloro-N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methylsulfonylbenzenesulfonamide?
The InChIKey is GEXITDXWLNFZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5S2/c1-27-15-9-6-13(7-10-15)14-8-11-18(21-12-14)22-29(25,26)17-5-3-4-16(20)19(17)28(2,23)24/h3-12H,1-2H3,(H,21,22).
What are the key properties of 3-chloro-N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methylsulfonylbenzenesulfonamide?
3-chloro-N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methylsulfonylbenzenesulfonamide has a molecular weight of 452.94 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 69347670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).