4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide

C12H15ClN2O3S — CID 2738683

IUPAC4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide
SMILESO=C1NCCCCC1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O3S/c13-9-4-6-10(7-5-9)19(17,18)15-11-3-1-2-8-14-12(11)16/h4-7,11,15H,1-3,8H2,(H,14,16)
InChIKeyLUWNLAUXXHAWJJ-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.29
Rot. Bonds3

About 4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide

4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide (PubChem CID 2738683) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide
PubChem CID2738683
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide
SMILESO=C1NCCCCC1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O3S/c13-9-4-6-10(7-5-9)19(17,18)15-11-3-1-2-8-14-12(11)16/h4-7,11,15H,1-3,8H2,(H,14,16)
InChIKeyLUWNLAUXXHAWJJ-UHFFFAOYSA-N
XLogP1.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide (CID 2738683) is 4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide is O=C1NCCCCC1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide?
The InChIKey is LUWNLAUXXHAWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c13-9-4-6-10(7-5-9)19(17,18)15-11-3-1-2-8-14-12(11)16/h4-7,11,15H,1-3,8H2,(H,14,16).
What are the key properties of 4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide?
4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide has a molecular weight of 302.78 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide is sourced from PubChem (CID 2738683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).