N-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide

C19H23FN2O3S — CID 169225033

IUPACN-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N[C@@]2(c3ccc(F)cc3)CCNC2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-14(2)25-17-7-9-18(10-8-17)26(23,24)22-19(11-12-21-13-19)15-3-5-16(20)6-4-15/h3-10,14,21-22H,11-13H2,1-2H3/t19-/m0/s1
InChIKeyWYHSZFOZBTUFMJ-IBGZPJMESA-N
MW378.47 g/mol
LogP2.78
Rot. Bonds6

About N-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide

N-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 169225033) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID169225033
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N[C@@]2(c3ccc(F)cc3)CCNC2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-14(2)25-17-7-9-18(10-8-17)26(23,24)22-19(11-12-21-13-19)15-3-5-16(20)6-4-15/h3-10,14,21-22H,11-13H2,1-2H3/t19-/m0/s1
InChIKeyWYHSZFOZBTUFMJ-IBGZPJMESA-N
XLogP2.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110446596
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide
CID 113091355
N-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide
CID 52669958
4-fluoro-N-(1-phenylcyclopropyl)benzenesulfonamide
CID 110446070
4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
CID 107423356
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-propan-2-yloxybenzenesulfonamide
CID 99819658
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110291474
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110665841
4-[[4-[1-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]oxane-4-carboxylic acid
CID 18703979
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110292678

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide (CID 169225033) is N-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)N[C@@]2(c3ccc(F)cc3)CCNC2)cc1.
What is the InChIKey of N-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is WYHSZFOZBTUFMJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-14(2)25-17-7-9-18(10-8-17)26(23,24)22-19(11-12-21-13-19)15-3-5-16(20)6-4-15/h3-10,14,21-22H,11-13H2,1-2H3/t19-/m0/s1.
What are the key properties of N-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide?
N-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 378.47 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 169225033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).