4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]benzenesulfonamide

C17H14ClN3O2S — CID 10269858

IUPAC4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(-c2ncc(Cl)cc2-c2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C17H14ClN3O2S/c1-11-2-3-13(9-20-11)17-16(8-14(18)10-21-17)12-4-6-15(7-5-12)24(19,22)23/h2-10H,1H3,(H2,19,22,23)
InChIKeyVNGQNGVIRPWFOS-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.42
Rot. Bonds3

About 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]benzenesulfonamide

4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 10269858) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]benzenesulfonamide
PubChem CID10269858
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(-c2ncc(Cl)cc2-c2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C17H14ClN3O2S/c1-11-2-3-13(9-20-11)17-16(8-14(18)10-21-17)12-4-6-15(7-5-12)24(19,22)23/h2-10H,1H3,(H2,19,22,23)
InChIKeyVNGQNGVIRPWFOS-UHFFFAOYSA-N
XLogP3.42
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]benzenesulfonamide (CID 10269858) is 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]benzenesulfonamide is Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(N)(=O)=O)cc2)cn1.
What is the InChIKey of 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is VNGQNGVIRPWFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-11-2-3-13(9-20-11)17-16(8-14(18)10-21-17)12-4-6-15(7-5-12)24(19,22)23/h2-10H,1H3,(H2,19,22,23).
What are the key properties of 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]benzenesulfonamide?
4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 359.84 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(6-methyl-3-pyridinyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 10269858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).