2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C11H14F2N2O2S — CID 119974119

IUPAC2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCN1)c1cccc(F)c1F
InChIInChI=1S/C11H14F2N2O2S/c12-9-4-1-5-10(11(9)13)18(16,17)15-7-8-3-2-6-14-8/h1,4-5,8,14-15H,2-3,6-7H2
InChIKeyXZYNITGQFCEGJV-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.00
Rot. Bonds4

About 2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 119974119) has the molecular formula C11H14F2N2O2S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID119974119
Molecular FormulaC11H14F2N2O2S
Molecular Weight276.31 g/mol
Exact Mass276.07
IUPAC Name2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCN1)c1cccc(F)c1F
InChIInChI=1S/C11H14F2N2O2S/c12-9-4-1-5-10(11(9)13)18(16,17)15-7-8-3-2-6-14-8/h1,4-5,8,14-15H,2-3,6-7H2
InChIKeyXZYNITGQFCEGJV-UHFFFAOYSA-N
XLogP1.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974073
2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94479302
2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43344425
3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220
5-bromo-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974330
N-(pyrrolidin-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 62542530
2-fluoro-6-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974313
2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119974473
3-fluoro-2-nitro-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794131
2-chloro-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974387
N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide
CID 11818625
2-fluoro-5-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540772

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 119974119) is 2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCCN1)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is XZYNITGQFCEGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2S/c12-9-4-1-5-10(11(9)13)18(16,17)15-7-8-3-2-6-14-8/h1,4-5,8,14-15H,2-3,6-7H2.
What are the key properties of 2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 276.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 119974119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).