3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide

C15H20N2O4S — CID 99936530

IUPAC3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NC[C@H]2CCOC2)c1)N1CCC1
InChIInChI=1S/C15H20N2O4S/c18-15(17-6-2-7-17)13-3-1-4-14(9-13)22(19,20)16-10-12-5-8-21-11-12/h1,3-4,9,12,16H,2,5-8,10-11H2/t12-/m1/s1
InChIKeyJTVHVFHGZJQXBR-GFCCVEGCSA-N
MW324.40 g/mol
LogP0.85
Rot. Bonds5

About 3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide

3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide (PubChem CID 99936530) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
PubChem CID99936530
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NC[C@H]2CCOC2)c1)N1CCC1
InChIInChI=1S/C15H20N2O4S/c18-15(17-6-2-7-17)13-3-1-4-14(9-13)22(19,20)16-10-12-5-8-21-11-12/h1,3-4,9,12,16H,2,5-8,10-11H2/t12-/m1/s1
InChIKeyJTVHVFHGZJQXBR-GFCCVEGCSA-N
XLogP0.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepane-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43002594
3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 119376148
3-(azepane-1-carbonyl)-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 72858134
N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563230
N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide
CID 97192873
N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55655065
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
N-(cyclopropylmethyl)-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55956827
1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251819
N-[2-(oxan-2-yl)ethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 72896002
3-(4-formylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 109063902
3-(4-methylsulfonylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55822182

Frequently Asked Questions

What is the IUPAC name of 3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide (CID 99936530) is 3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide is O=C(c1cccc(S(=O)(=O)NC[C@H]2CCOC2)c1)N1CCC1.
What is the InChIKey of 3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
The InChIKey is JTVHVFHGZJQXBR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O4S/c18-15(17-6-2-7-17)13-3-1-4-14(9-13)22(19,20)16-10-12-5-8-21-11-12/h1,3-4,9,12,16H,2,5-8,10-11H2/t12-/m1/s1.
What are the key properties of 3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide has a molecular weight of 324.40 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 99936530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).