3-chloro-2-hydroxy-N-(2-methyl-5-phenyl-3-pyridinyl)benzenesulfonamide

C18H15ClN2O3S — CID 167916373

IUPAC3-chloro-2-hydroxy-N-(2-methyl-5-phenyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ncc(-c2ccccc2)cc1NS(=O)(=O)c1cccc(Cl)c1O
InChIInChI=1S/C18H15ClN2O3S/c1-12-16(10-14(11-20-12)13-6-3-2-4-7-13)21-25(23,24)17-9-5-8-15(19)18(17)22/h2-11,21-22H,1H3
InChIKeyXHMVCDVOYDIMRE-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.22
Rot. Bonds4

About 3-chloro-2-hydroxy-N-(2-methyl-5-phenyl-3-pyridinyl)benzenesulfonamide

3-chloro-2-hydroxy-N-(2-methyl-5-phenyl-3-pyridinyl)benzenesulfonamide (PubChem CID 167916373) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-N-(2-methyl-5-phenyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-hydroxy-N-(2-methyl-5-phenyl-3-pyridinyl)benzenesulfonamide
PubChem CID167916373
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Name3-chloro-2-hydroxy-N-(2-methyl-5-phenyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ncc(-c2ccccc2)cc1NS(=O)(=O)c1cccc(Cl)c1O
InChIInChI=1S/C18H15ClN2O3S/c1-12-16(10-14(11-20-12)13-6-3-2-4-7-13)21-25(23,24)17-9-5-8-15(19)18(17)22/h2-11,21-22H,1H3
InChIKeyXHMVCDVOYDIMRE-UHFFFAOYSA-N
XLogP4.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-N-(2-methyl-5-phenyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-hydroxy-N-(2-methyl-5-phenyl-3-pyridinyl)benzenesulfonamide (CID 167916373) is 3-chloro-2-hydroxy-N-(2-methyl-5-phenyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-hydroxy-N-(2-methyl-5-phenyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-hydroxy-N-(2-methyl-5-phenyl-3-pyridinyl)benzenesulfonamide is Cc1ncc(-c2ccccc2)cc1NS(=O)(=O)c1cccc(Cl)c1O.
What is the InChIKey of 3-chloro-2-hydroxy-N-(2-methyl-5-phenyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is XHMVCDVOYDIMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c1-12-16(10-14(11-20-12)13-6-3-2-4-7-13)21-25(23,24)17-9-5-8-15(19)18(17)22/h2-11,21-22H,1H3.
What are the key properties of 3-chloro-2-hydroxy-N-(2-methyl-5-phenyl-3-pyridinyl)benzenesulfonamide?
3-chloro-2-hydroxy-N-(2-methyl-5-phenyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 374.85 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-N-(2-methyl-5-phenyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 167916373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).