N-(5-chloro-2-ethoxyphenyl)piperazine-1-sulfonamide

C12H18ClN3O3S — CID 61254178

IUPACN-(5-chloro-2-ethoxyphenyl)piperazine-1-sulfonamide
SMILESCCOc1ccc(Cl)cc1NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C12H18ClN3O3S/c1-2-19-12-4-3-10(13)9-11(12)15-20(17,18)16-7-5-14-6-8-16/h3-4,9,14-15H,2,5-8H2,1H3
InChIKeyOPBLNNIWWIPNCF-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.30
Rot. Bonds5

About N-(5-chloro-2-ethoxyphenyl)piperazine-1-sulfonamide

N-(5-chloro-2-ethoxyphenyl)piperazine-1-sulfonamide (PubChem CID 61254178) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxyphenyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxyphenyl)piperazine-1-sulfonamide
PubChem CID61254178
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC NameN-(5-chloro-2-ethoxyphenyl)piperazine-1-sulfonamide
SMILESCCOc1ccc(Cl)cc1NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C12H18ClN3O3S/c1-2-19-12-4-3-10(13)9-11(12)15-20(17,18)16-7-5-14-6-8-16/h3-4,9,14-15H,2,5-8H2,1H3
InChIKeyOPBLNNIWWIPNCF-UHFFFAOYSA-N
XLogP1.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
1-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepane
CID 119963333
1-(3-bromo-4-ethoxyphenyl)sulfonylpiperazine
CID 119961758
1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82263354
N-(5-chloro-2-ethoxyphenyl)piperidine-4-carboxamide
CID 54862625
1-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963332
N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267974
3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 63422726
N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364394
4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid
CID 60933027
methyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate
CID 61460341
N-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299319

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxyphenyl)piperazine-1-sulfonamide?
The IUPAC name of N-(5-chloro-2-ethoxyphenyl)piperazine-1-sulfonamide (CID 61254178) is N-(5-chloro-2-ethoxyphenyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-ethoxyphenyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(5-chloro-2-ethoxyphenyl)piperazine-1-sulfonamide is CCOc1ccc(Cl)cc1NS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-(5-chloro-2-ethoxyphenyl)piperazine-1-sulfonamide?
The InChIKey is OPBLNNIWWIPNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-2-19-12-4-3-10(13)9-11(12)15-20(17,18)16-7-5-14-6-8-16/h3-4,9,14-15H,2,5-8H2,1H3.
What are the key properties of N-(5-chloro-2-ethoxyphenyl)piperazine-1-sulfonamide?
N-(5-chloro-2-ethoxyphenyl)piperazine-1-sulfonamide has a molecular weight of 319.81 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethoxyphenyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61254178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).