2,3-dichloro-N-[(3-hydroxy-2-pyridinyl)methyl]benzenesulfonamide

C12H10Cl2N2O3S — CID 171697828

IUPAC2,3-dichloro-N-[(3-hydroxy-2-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ncccc1O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N2O3S/c13-8-3-1-5-11(12(8)14)20(18,19)16-7-9-10(17)4-2-6-15-9/h1-6,16-17H,7H2
InChIKeyHASFNAOLYBXPHV-UHFFFAOYSA-N
MW333.20 g/mol
LogP2.57
Rot. Bonds4

About 2,3-dichloro-N-[(3-hydroxy-2-pyridinyl)methyl]benzenesulfonamide

2,3-dichloro-N-[(3-hydroxy-2-pyridinyl)methyl]benzenesulfonamide (PubChem CID 171697828) has the molecular formula C12H10Cl2N2O3S and a molecular weight of 333.20 g/mol. Its IUPAC name is 2,3-dichloro-N-[(3-hydroxy-2-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(3-hydroxy-2-pyridinyl)methyl]benzenesulfonamide
PubChem CID171697828
Molecular FormulaC12H10Cl2N2O3S
Molecular Weight333.20 g/mol
Exact Mass331.98
IUPAC Name2,3-dichloro-N-[(3-hydroxy-2-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ncccc1O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N2O3S/c13-8-3-1-5-11(12(8)14)20(18,19)16-7-9-10(17)4-2-6-15-9/h1-6,16-17H,7H2
InChIKeyHASFNAOLYBXPHV-UHFFFAOYSA-N
XLogP2.57
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2127166
2,3-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104213
2,3-dichloro-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 16615086
N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide
CID 103816094
2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 51116086
(3-hydroxy-2-pyridinyl)methanesulfonic acid
CID 22931545
2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660340
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
2,3-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 59168167
2,3-dichloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35389010
N-(1,3-benzothiazol-2-ylmethyl)-2,3-dichlorobenzenesulfonamide
CID 32944413
N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide
CID 166368628

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(3-hydroxy-2-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[(3-hydroxy-2-pyridinyl)methyl]benzenesulfonamide (CID 171697828) is 2,3-dichloro-N-[(3-hydroxy-2-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[(3-hydroxy-2-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[(3-hydroxy-2-pyridinyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ncccc1O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[(3-hydroxy-2-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is HASFNAOLYBXPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3S/c13-8-3-1-5-11(12(8)14)20(18,19)16-7-9-10(17)4-2-6-15-9/h1-6,16-17H,7H2.
What are the key properties of 2,3-dichloro-N-[(3-hydroxy-2-pyridinyl)methyl]benzenesulfonamide?
2,3-dichloro-N-[(3-hydroxy-2-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 333.20 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(3-hydroxy-2-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 171697828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).