2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide

C11H10ClFN2O2S — CID 106386170

IUPAC2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cc[nH]c1)c1cc(F)ccc1Cl
InChIInChI=1S/C11H10ClFN2O2S/c12-10-2-1-9(13)5-11(10)18(16,17)15-7-8-3-4-14-6-8/h1-6,14-15H,7H2
InChIKeyXMEFZGDDWGOGOI-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.29
Rot. Bonds4

About 2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide

2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide (PubChem CID 106386170) has the molecular formula C11H10ClFN2O2S and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
PubChem CID106386170
Molecular FormulaC11H10ClFN2O2S
Molecular Weight288.73 g/mol
Exact Mass288.01
IUPAC Name2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cc[nH]c1)c1cc(F)ccc1Cl
InChIInChI=1S/C11H10ClFN2O2S/c12-10-2-1-9(13)5-11(10)18(16,17)15-7-8-3-4-14-6-8/h1-6,14-15H,7H2
InChIKeyXMEFZGDDWGOGOI-UHFFFAOYSA-N
XLogP2.29
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 106386078
N-[(3-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 75509038
2,4-dichloro-3-nitro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 106386260
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105399556
N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 115610877
2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 115752213
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308
2-fluoro-4-nitro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 106386123
2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 114182139
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide
CID 105400574

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide (CID 106386170) is 2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cc[nH]c1)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide?
The InChIKey is XMEFZGDDWGOGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2S/c12-10-2-1-9(13)5-11(10)18(16,17)15-7-8-3-4-14-6-8/h1-6,14-15H,7H2.
What are the key properties of 2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide?
2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide has a molecular weight of 288.73 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106386170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).