2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide

C10H8BrFN2O3S2 — CID 106000398

IUPAC2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccncc1F)c1cc(CO)sc1Br
InChIInChI=1S/C10H8BrFN2O3S2/c11-10-9(3-6(5-15)18-10)19(16,17)14-8-1-2-13-4-7(8)12/h1-4,15H,5H2,(H,13,14)
InChIKeyKBOGWAHMWXOSBQ-UHFFFAOYSA-N
MW367.22 g/mol
LogP2.34
Rot. Bonds4

About 2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide

2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide (PubChem CID 106000398) has the molecular formula C10H8BrFN2O3S2 and a molecular weight of 367.22 g/mol. Its IUPAC name is 2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
PubChem CID106000398
Molecular FormulaC10H8BrFN2O3S2
Molecular Weight367.22 g/mol
Exact Mass365.91
IUPAC Name2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccncc1F)c1cc(CO)sc1Br
InChIInChI=1S/C10H8BrFN2O3S2/c11-10-9(3-6(5-15)18-10)19(16,17)14-8-1-2-13-4-7(8)12/h1-4,15H,5H2,(H,13,14)
InChIKeyKBOGWAHMWXOSBQ-UHFFFAOYSA-N
XLogP2.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 106090175
4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 86796625
2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 107594798
2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 113340997
3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103943790
5-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-sulfonamide
CID 103943788
2-bromo-5-(hydroxymethyl)-N-(1-methylpyrazol-3-yl)thiophene-3-sulfonamide
CID 114134158
4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 107594699
5-bromo-4-[(4-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63327256
N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 103862773
1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107595287
N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527254

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide (CID 106000398) is 2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide is O=S(=O)(Nc1ccncc1F)c1cc(CO)sc1Br.
What is the InChIKey of 2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide?
The InChIKey is KBOGWAHMWXOSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O3S2/c11-10-9(3-6(5-15)18-10)19(16,17)14-8-1-2-13-4-7(8)12/h1-4,15H,5H2,(H,13,14).
What are the key properties of 2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide?
2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide has a molecular weight of 367.22 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106000398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).