3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C14H20F2N2O2S — CID 106608455

IUPAC3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCCN(CC1CCCN1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O2S/c1-2-8-18(10-11-4-3-7-17-11)21(19,20)12-5-6-13(15)14(16)9-12/h5-6,9,11,17H,2-4,7-8,10H2,1H3
InChIKeyABLOSKVHFUFVCI-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.12
Rot. Bonds6

About 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106608455) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106608455
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCCN(CC1CCCN1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O2S/c1-2-8-18(10-11-4-3-7-17-11)21(19,20)12-5-6-13(15)14(16)9-12/h5-6,9,11,17H,2-4,7-8,10H2,1H3
InChIKeyABLOSKVHFUFVCI-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608499
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397
3-cyano-N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607931
3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide
CID 106630601
2-chloro-4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608467
N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607953
4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610003
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175
3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905715
3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609304
2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608617
4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610228

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106608455) is 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is CCCN(CC1CCCN1)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is ABLOSKVHFUFVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-2-8-18(10-11-4-3-7-17-11)21(19,20)12-5-6-13(15)14(16)9-12/h5-6,9,11,17H,2-4,7-8,10H2,1H3.
What are the key properties of 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 318.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106608455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).