N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide

C23H27N3O3S — CID 118521609

IUPACN-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide
SMILESCC(C)Oc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cnc4ccccc4c3)C2)cc1
InChIInChI=1S/C23H27N3O3S/c1-17(2)29-21-9-7-18(8-10-21)15-26-12-11-20(16-26)25-30(27,28)22-13-19-5-3-4-6-23(19)24-14-22/h3-10,13-14,17,20,25H,11-12,15-16H2,1-2H3/t20-/m1/s1
InChIKeyMSOCUDDOHRVBMC-HXUWFJFHSA-N
MW425.55 g/mol
LogP3.57
Rot. Bonds7

About N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide

N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide (PubChem CID 118521609) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide
PubChem CID118521609
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide
SMILESCC(C)Oc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cnc4ccccc4c3)C2)cc1
InChIInChI=1S/C23H27N3O3S/c1-17(2)29-21-9-7-18(8-10-21)15-26-12-11-20(16-26)25-30(27,28)22-13-19-5-3-4-6-23(19)24-14-22/h3-10,13-14,17,20,25H,11-12,15-16H2,1-2H3/t20-/m1/s1
InChIKeyMSOCUDDOHRVBMC-HXUWFJFHSA-N
XLogP3.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide
CID 118521616
2-methyl-5-methylsulfonyl-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 130225296
4-bromo-2-ethyl-N-[1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 6735450
N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 25042421
N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide
CID 119049752
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(dimethylamino)pyridine-3-sulfonamide
CID 166097329
4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide
CID 110730295
N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25046055
N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25040869
N-[(3R)-1-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 130224647
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide?
The IUPAC name of N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide (CID 118521609) is N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide.
What is the SMILES notation for N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide?
The canonical SMILES for N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide is CC(C)Oc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cnc4ccccc4c3)C2)cc1.
What is the InChIKey of N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide?
The InChIKey is MSOCUDDOHRVBMC-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-17(2)29-21-9-7-18(8-10-21)15-26-12-11-20(16-26)25-30(27,28)22-13-19-5-3-4-6-23(19)24-14-22/h3-10,13-14,17,20,25H,11-12,15-16H2,1-2H3/t20-/m1/s1.
What are the key properties of N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide?
N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide has a molecular weight of 425.55 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide is sourced from PubChem (CID 118521609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).