N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide

C14H19ClN2O3S — CID 112995974

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCCC1
InChIInChI=1S/C14H19ClN2O3S/c15-12-5-7-13(8-6-12)21(19,20)16-11-14(18)17-9-3-1-2-4-10-17/h5-8,16H,1-4,9-11H2
InChIKeySPVVSTHMZLYVBB-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.02
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide

N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide (PubChem CID 112995974) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
PubChem CID112995974
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCCC1
InChIInChI=1S/C14H19ClN2O3S/c15-12-5-7-13(8-6-12)21(19,20)16-11-14(18)17-9-3-1-2-4-10-17/h5-8,16H,1-4,9-11H2
InChIKeySPVVSTHMZLYVBB-UHFFFAOYSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 2236890
N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 894307
2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid
CID 110712522
4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 112990867
2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668267
4-(2-oxopiperidin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110312144
2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 9035264
2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide
CID 113405985
4-bromo-3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668245
4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide
CID 54037896
4-cyclopentyloxy-3-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110312227
3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 60894571

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide (CID 112995974) is N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide is O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide?
The InChIKey is SPVVSTHMZLYVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c15-12-5-7-13(8-6-12)21(19,20)16-11-14(18)17-9-3-1-2-4-10-17/h5-8,16H,1-4,9-11H2.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide has a molecular weight of 330.84 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 112995974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).