2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide

C12H15BrN2O3S — CID 51979851

IUPAC2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
SMILESO=C1NCCCC[C@H]1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H15BrN2O3S/c13-9-5-1-2-7-11(9)19(17,18)15-10-6-3-4-8-14-12(10)16/h1-2,5,7,10,15H,3-4,6,8H2,(H,14,16)/t10-/m1/s1
InChIKeyVKDACKPQIPMWES-SNVBAGLBSA-N
MW347.23 g/mol
LogP1.40
Rot. Bonds3

About 2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide

2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide (PubChem CID 51979851) has the molecular formula C12H15BrN2O3S and a molecular weight of 347.23 g/mol. Its IUPAC name is 2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
PubChem CID51979851
Molecular FormulaC12H15BrN2O3S
Molecular Weight347.23 g/mol
Exact Mass346.00
IUPAC Name2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
SMILESO=C1NCCCC[C@H]1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H15BrN2O3S/c13-9-5-1-2-7-11(9)19(17,18)15-10-6-3-4-8-14-12(10)16/h1-2,5,7,10,15H,3-4,6,8H2,(H,14,16)/t10-/m1/s1
InChIKeyVKDACKPQIPMWES-SNVBAGLBSA-N
XLogP1.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(3S)-2-oxoazepan-3-yl]benzenesulfonamide
CID 51979852
3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 47203331
N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457209
4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 116528562
5-bromo-2-chloro-N-(2-oxoazepan-3-yl)pyridine-3-sulfonamide
CID 61060873
5-fluoro-2-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 6976095
2-[(4-cyano-2-fluorophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 69492013
N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 3770703
2-bromo-N-[(3S)-1-ethyl-2-oxoazepan-3-yl]benzenesulfonamide
CID 90313771
4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49149515
4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 103697534
N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide
CID 94061079

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide (CID 51979851) is 2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide is O=C1NCCCC[C@H]1NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide?
The InChIKey is VKDACKPQIPMWES-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15BrN2O3S/c13-9-5-1-2-7-11(9)19(17,18)15-10-6-3-4-8-14-12(10)16/h1-2,5,7,10,15H,3-4,6,8H2,(H,14,16)/t10-/m1/s1.
What are the key properties of 2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide?
2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide has a molecular weight of 347.23 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide is sourced from PubChem (CID 51979851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).