4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

C14H20N2O4S — CID 66260464

IUPAC4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C14H20N2O4S/c1-10(2)15-21(19,20)13-5-3-11(4-6-13)14(18)16-8-7-12(17)9-16/h3-6,10,12,15,17H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyUSXNOOBTZYKJKZ-GFCCVEGCSA-N
MW312.39 g/mol
LogP0.58
Rot. Bonds4

About 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 66260464) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID66260464
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C14H20N2O4S/c1-10(2)15-21(19,20)13-5-3-11(4-6-13)14(18)16-8-7-12(17)9-16/h3-6,10,12,15,17H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyUSXNOOBTZYKJKZ-GFCCVEGCSA-N
XLogP0.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917
1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341309
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119541678
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
CID 104892759
4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 41309315
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 146087240
(3R,4R)-4-cyclopropyl-1-[4-(propan-2-ylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120978459
4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 51160909
4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119417843
N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 52504192

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (CID 66260464) is 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](O)C2)cc1.
What is the InChIKey of 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is USXNOOBTZYKJKZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10(2)15-21(19,20)13-5-3-11(4-6-13)14(18)16-8-7-12(17)9-16/h3-6,10,12,15,17H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 66260464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).