3-(azetidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide

C16H15ClN2O3S — CID 24978784

IUPAC3-(azetidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCC1
InChIInChI=1S/C16H15ClN2O3S/c17-14-7-1-2-8-15(14)18-23(21,22)13-6-3-5-12(11-13)16(20)19-9-4-10-19/h1-3,5-8,11,18H,4,9-10H2
InChIKeyOSAZKBKWBXKTHK-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.99
Rot. Bonds4

About 3-(azetidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide

3-(azetidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide (PubChem CID 24978784) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 3-(azetidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(azetidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide
PubChem CID24978784
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name3-(azetidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCC1
InChIInChI=1S/C16H15ClN2O3S/c17-14-7-1-2-8-15(14)18-23(21,22)13-6-3-5-12(11-13)16(20)19-9-4-10-19/h1-3,5-8,11,18H,4,9-10H2
InChIKeyOSAZKBKWBXKTHK-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide?
The IUPAC name of 3-(azetidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide (CID 24978784) is 3-(azetidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-(azetidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 3-(azetidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCC1.
What is the InChIKey of 3-(azetidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide?
The InChIKey is OSAZKBKWBXKTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c17-14-7-1-2-8-15(14)18-23(21,22)13-6-3-5-12(11-13)16(20)19-9-4-10-19/h1-3,5-8,11,18H,4,9-10H2.
What are the key properties of 3-(azetidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide?
3-(azetidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide has a molecular weight of 350.83 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 24978784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).