N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)-2,3-dimethylbenzenesulfonamide

C14H15FN2O3S — CID 106000373

IUPACN-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(CO)cc(S(=O)(=O)Nc2ccncc2F)c1C
InChIInChI=1S/C14H15FN2O3S/c1-9-5-11(8-18)6-14(10(9)2)21(19,20)17-13-3-4-16-7-12(13)15/h3-7,18H,8H2,1-2H3,(H,16,17)
InChIKeyKXTOSSVTIJDRBC-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.13
Rot. Bonds4

About N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)-2,3-dimethylbenzenesulfonamide

N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 106000373) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)-2,3-dimethylbenzenesulfonamide
PubChem CID106000373
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC NameN-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(CO)cc(S(=O)(=O)Nc2ccncc2F)c1C
InChIInChI=1S/C14H15FN2O3S/c1-9-5-11(8-18)6-14(10(9)2)21(19,20)17-13-3-4-16-7-12(13)15/h3-7,18H,8H2,1-2H3,(H,16,17)
InChIKeyKXTOSSVTIJDRBC-UHFFFAOYSA-N
XLogP2.13
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)-2,3-dimethylbenzenesulfonamide (CID 106000373) is N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)-2,3-dimethylbenzenesulfonamide is Cc1cc(CO)cc(S(=O)(=O)Nc2ccncc2F)c1C.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is KXTOSSVTIJDRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-9-5-11(8-18)6-14(10(9)2)21(19,20)17-13-3-4-16-7-12(13)15/h3-7,18H,8H2,1-2H3,(H,16,17).
What are the key properties of N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)-2,3-dimethylbenzenesulfonamide?
N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 106000373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).