N-[2-[2-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide

C16H22ClN5O2S — CID 120757602

IUPACN-[2-[2-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCN2CCNCC2c2ccccc2Cl)cn1
InChIInChI=1S/C16H22ClN5O2S/c1-21-12-13(10-19-21)25(23,24)20-7-9-22-8-6-18-11-16(22)14-4-2-3-5-15(14)17/h2-5,10,12,16,18,20H,6-9,11H2,1H3
InChIKeyCLIDOFWJTSEDKA-UHFFFAOYSA-N
MW383.91 g/mol
LogP1.00
Rot. Bonds6

About N-[2-[2-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide

N-[2-[2-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 120757602) has the molecular formula C16H22ClN5O2S and a molecular weight of 383.91 g/mol. Its IUPAC name is N-[2-[2-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID120757602
Molecular FormulaC16H22ClN5O2S
Molecular Weight383.91 g/mol
Exact Mass383.12
IUPAC NameN-[2-[2-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCN2CCNCC2c2ccccc2Cl)cn1
InChIInChI=1S/C16H22ClN5O2S/c1-21-12-13(10-19-21)25(23,24)20-7-9-22-8-6-18-11-16(22)14-4-2-3-5-15(14)17/h2-5,10,12,16,18,20H,6-9,11H2,1H3
InChIKeyCLIDOFWJTSEDKA-UHFFFAOYSA-N
XLogP1.00
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.91
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride
CID 120757517
N-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 127377679
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide
CID 120734272
2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120768956
2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120768961
methyl 2-[4-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyrazol-1-yl]acetate
CID 120765125
2-(2-chlorophenyl)-1-(2-ethylsulfanylethyl)piperazine;hydrochloride
CID 120757707
2-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120757480
1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide
CID 47034943
2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine
CID 120768834
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 120757474

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-[2-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide (CID 120757602) is N-[2-[2-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[2-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[2-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCCN2CCNCC2c2ccccc2Cl)cn1.
What is the InChIKey of N-[2-[2-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is CLIDOFWJTSEDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O2S/c1-21-12-13(10-19-21)25(23,24)20-7-9-22-8-6-18-11-16(22)14-4-2-3-5-15(14)17/h2-5,10,12,16,18,20H,6-9,11H2,1H3.
What are the key properties of N-[2-[2-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide?
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 383.91 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 120757602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).