3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide

C14H17N3O3S — CID 79782258

IUPAC3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NCc2ccc(O)cn2)c1C
InChIInChI=1S/C14H17N3O3S/c1-9-5-13(21(15,19)20)6-14(10(9)2)17-7-11-3-4-12(18)8-16-11/h3-6,8,17-18H,7H2,1-2H3,(H2,15,19,20)
InChIKeyLISRIHUJERCAEK-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.66
Rot. Bonds4

About 3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide

3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide (PubChem CID 79782258) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide
PubChem CID79782258
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NCc2ccc(O)cn2)c1C
InChIInChI=1S/C14H17N3O3S/c1-9-5-13(21(15,19)20)6-14(10(9)2)17-7-11-3-4-12(18)8-16-11/h3-6,8,17-18H,7H2,1-2H3,(H2,15,19,20)
InChIKeyLISRIHUJERCAEK-UHFFFAOYSA-N
XLogP1.66
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide
CID 43684675
6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol
CID 79775709
3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 43684711
3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide
CID 79783627
4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide
CID 79776352
3,4-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide
CID 104769750
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide
CID 43684742
3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide
CID 43684700
6-[(2-bromo-4-methyl-5-nitroanilino)methyl]pyridin-3-ol
CID 104815034
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol
CID 79776132
3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid
CID 79784003

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide (CID 79782258) is 3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(NCc2ccc(O)cn2)c1C.
What is the InChIKey of 3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide?
The InChIKey is LISRIHUJERCAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-5-13(21(15,19)20)6-14(10(9)2)17-7-11-3-4-12(18)8-16-11/h3-6,8,17-18H,7H2,1-2H3,(H2,15,19,20).
What are the key properties of 3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide?
3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 79782258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).