4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide

C13H20ClN3O2S — CID 34781987

IUPAC4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H20ClN3O2S/c1-15(2)20(18,19)17-9-7-16(8-10-17)11-12-3-5-13(14)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeySVMFYUYFUJDINQ-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.26
Rot. Bonds4

About 4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide

4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 34781987) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID34781987
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H20ClN3O2S/c1-15(2)20(18,19)17-9-7-16(8-10-17)11-12-3-5-13(14)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeySVMFYUYFUJDINQ-UHFFFAOYSA-N
XLogP1.26
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34781962
1-[(4-chlorophenyl)methyl]-4-ethylsulfonylpiperazine;oxalic acid
CID 2901979
5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55731165
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17338184
CID 140622433
CID 140622433
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine
CID 770584
N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide
CID 34785448
N,N-dimethyl-4-[(4-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide
CID 110819072
1-[(4-chlorophenyl)methyl]-4-[[4-(difluoromethylsulfonyl)phenyl]methyl]piperazine
CID 112804278
N-(4-chlorophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919467

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide (CID 34781987) is 4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is SVMFYUYFUJDINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-15(2)20(18,19)17-9-7-16(8-10-17)11-12-3-5-13(14)6-4-12/h3-6H,7-11H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 317.84 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 34781987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).