N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide

C19H23FN2O2S — CID 113092411

IUPACN-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cc(F)ccc2N2CCCC2)cc1
InChIInChI=1S/C19H23FN2O2S/c1-14(2)15-5-8-17(9-6-15)25(23,24)21-18-13-16(20)7-10-19(18)22-11-3-4-12-22/h5-10,13-14,21H,3-4,11-12H2,1-2H3
InChIKeyVZKKDVKRKRNQRR-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.35
Rot. Bonds5

About N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide

N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 113092411) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID113092411
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC NameN-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cc(F)ccc2N2CCCC2)cc1
InChIInChI=1S/C19H23FN2O2S/c1-14(2)15-5-8-17(9-6-15)25(23,24)21-18-13-16(20)7-10-19(18)22-11-3-4-12-22/h5-10,13-14,21H,3-4,11-12H2,1-2H3
InChIKeyVZKKDVKRKRNQRR-UHFFFAOYSA-N
XLogP4.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 113092662
3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide
CID 113092652
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 113092748
4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 46291955
N-[4-fluoro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 113093010
N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide
CID 20946704
N-(5-fluoro-2-piperidin-1-ylphenyl)thiophene-2-sulfonamide
CID 113092648
N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46333701
4-fluoro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8860759
3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide
CID 60579391
4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide
CID 43105533
3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid
CID 73437637

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide (CID 113092411) is N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2cc(F)ccc2N2CCCC2)cc1.
What is the InChIKey of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is VZKKDVKRKRNQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-14(2)15-5-8-17(9-6-15)25(23,24)21-18-13-16(20)7-10-19(18)22-11-3-4-12-22/h5-10,13-14,21H,3-4,11-12H2,1-2H3.
What are the key properties of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide?
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 362.47 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 113092411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).