4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide

C17H15ClN2O3S — CID 7161332

IUPAC4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
SMILESO=C1Cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)cc3c2N1CCC3
InChIInChI=1S/C17H15ClN2O3S/c18-13-3-5-15(6-4-13)24(22,23)19-14-8-11-2-1-7-20-16(21)10-12(9-14)17(11)20/h3-6,8-9,19H,1-2,7,10H2
InChIKeyKGBRDIWKJGFNJX-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.98
Rot. Bonds3

About 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide

4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide (PubChem CID 7161332) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
PubChem CID7161332
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
SMILESO=C1Cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)cc3c2N1CCC3
InChIInChI=1S/C17H15ClN2O3S/c18-13-3-5-15(6-4-13)24(22,23)19-14-8-11-2-1-7-20-16(21)10-12(9-14)17(11)20/h3-6,8-9,19H,1-2,7,10H2
InChIKeyKGBRDIWKJGFNJX-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide (CID 7161332) is 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide is O=C1Cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)cc3c2N1CCC3.
What is the InChIKey of 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
The InChIKey is KGBRDIWKJGFNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c18-13-3-5-15(6-4-13)24(22,23)19-14-8-11-2-1-7-20-16(21)10-12(9-14)17(11)20/h3-6,8-9,19H,1-2,7,10H2.
What are the key properties of 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide has a molecular weight of 362.84 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide is sourced from PubChem (CID 7161332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).