2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide

C13H18ClN3O3S — CID 61018551

IUPAC2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H18ClN3O3S/c1-16(10-13(18)17-8-6-15-7-9-17)21(19,20)12-5-3-2-4-11(12)14/h2-5,15H,6-10H2,1H3
InChIKeyZWQPQVZOVRWKNG-UHFFFAOYSA-N
MW331.82 g/mol
LogP0.39
Rot. Bonds4

About 2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide

2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide (PubChem CID 61018551) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
PubChem CID61018551
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.82 g/mol
Exact Mass331.08
IUPAC Name2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H18ClN3O3S/c1-16(10-13(18)17-8-6-15-7-9-17)21(19,20)12-5-3-2-4-11(12)14/h2-5,15H,6-10H2,1H3
InChIKeyZWQPQVZOVRWKNG-UHFFFAOYSA-N
XLogP0.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967368
4-chloro-2-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 119967488
3-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018552
3,5-dichloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 119967371
2,3,4-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 120707682
5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 119401193
2-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60627449
2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967328
5-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 80577583
4-iodo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018949
5-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967382
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 119967438

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide (CID 61018551) is 2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide is CN(CC(=O)N1CCNCC1)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
The InChIKey is ZWQPQVZOVRWKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3S/c1-16(10-13(18)17-8-6-15-7-9-17)21(19,20)12-5-3-2-4-11(12)14/h2-5,15H,6-10H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide?
2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide has a molecular weight of 331.82 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 61018551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).