N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C14H18F2N2O2S — CID 106599610

IUPACN-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1F)N(CC1CCCN1)C1CC1
InChIInChI=1S/C14H18F2N2O2S/c15-10-3-6-14(13(16)8-10)21(19,20)18(12-4-5-12)9-11-2-1-7-17-11/h3,6,8,11-12,17H,1-2,4-5,7,9H2
InChIKeyLUBQBWUDPGNOSO-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.87
Rot. Bonds5

About N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106599610) has the molecular formula C14H18F2N2O2S and a molecular weight of 316.37 g/mol. Its IUPAC name is N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106599610
Molecular FormulaC14H18F2N2O2S
Molecular Weight316.37 g/mol
Exact Mass316.11
IUPAC NameN-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1F)N(CC1CCCN1)C1CC1
InChIInChI=1S/C14H18F2N2O2S/c15-10-3-6-14(13(16)8-10)21(19,20)18(12-4-5-12)9-11-2-1-7-17-11/h3,6,8,11-12,17H,1-2,4-5,7,9H2
InChIKeyLUBQBWUDPGNOSO-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599551
2,4-difluoro-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610277
4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 107650210
N-cyclopropyl-2,6-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599513
N-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide
CID 80667040
N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599587
2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972390
N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106599498
N-[(2,5-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973976
2-chloro-4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608467
4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630089
5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide
CID 106630061

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106599610) is N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(F)cc1F)N(CC1CCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is LUBQBWUDPGNOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2S/c15-10-3-6-14(13(16)8-10)21(19,20)18(12-4-5-12)9-11-2-1-7-17-11/h3,6,8,11-12,17H,1-2,4-5,7,9H2.
What are the key properties of N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 316.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106599610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).