3-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-methylbenzenesulfonamide

C14H18N2O4S — CID 139007574

IUPAC3-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N2CC(O)(C3CC3)C2)c1
InChIInChI=1S/C14H18N2O4S/c1-15-21(19,20)12-4-2-3-10(7-12)13(17)16-8-14(18,9-16)11-5-6-11/h2-4,7,11,15,18H,5-6,8-9H2,1H3
InChIKeyKQZFMXJUYHGZMB-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.19
Rot. Bonds4

About 3-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-methylbenzenesulfonamide

3-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-methylbenzenesulfonamide (PubChem CID 139007574) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-methylbenzenesulfonamide
PubChem CID139007574
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name3-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N2CC(O)(C3CC3)C2)c1
InChIInChI=1S/C14H18N2O4S/c1-15-21(19,20)12-4-2-3-10(7-12)13(17)16-8-14(18,9-16)11-5-6-11/h2-4,7,11,15,18H,5-6,8-9H2,1H3
InChIKeyKQZFMXJUYHGZMB-UHFFFAOYSA-N
XLogP0.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 51160647
1-[3-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 94786854
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)sulfonylbenzoic acid
CID 107215477
N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563230
1-[3-(ethylsulfamoyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 43064085
3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
CID 94051447
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 30806723
N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063351
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 46610186
3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 56511421
1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251819

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-methylbenzenesulfonamide (CID 139007574) is 3-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(C(=O)N2CC(O)(C3CC3)C2)c1.
What is the InChIKey of 3-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-methylbenzenesulfonamide?
The InChIKey is KQZFMXJUYHGZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-15-21(19,20)12-4-2-3-10(7-12)13(17)16-8-14(18,9-16)11-5-6-11/h2-4,7,11,15,18H,5-6,8-9H2,1H3.
What are the key properties of 3-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-methylbenzenesulfonamide?
3-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-methylbenzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 139007574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).