2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C14H21FN2O2S — CID 47031499

IUPAC2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NCCCN2CCCC2)c1
InChIInChI=1S/C14H21FN2O2S/c1-12-5-6-13(15)14(11-12)20(18,19)16-7-4-10-17-8-2-3-9-17/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyDGCVXVABNQJAPP-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.90
Rot. Bonds6

About 2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide

2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 47031499) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID47031499
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NCCCN2CCCC2)c1
InChIInChI=1S/C14H21FN2O2S/c1-12-5-6-13(15)14(11-12)20(18,19)16-7-4-10-17-8-2-3-9-17/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyDGCVXVABNQJAPP-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60609677
2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60731580
2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61106774
2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061337
2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824169
2-fluoro-5-methyl-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794247
4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid
CID 4135399
4-chloro-2-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206353
4-(aminomethyl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106996929
2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911386
1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111415007
2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 78843443

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 47031499) is 2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)NCCCN2CCCC2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is DGCVXVABNQJAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-12-5-6-13(15)14(11-12)20(18,19)16-7-4-10-17-8-2-3-9-17/h5-6,11,16H,2-4,7-10H2,1H3.
What are the key properties of 2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 47031499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).