4-(2-chlorobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide

C13H18ClN3O3S — CID 849903

IUPAC4-(2-chlorobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C13H18ClN3O3S/c1-15(2)21(19,20)17-9-7-16(8-10-17)13(18)11-5-3-4-6-12(11)14/h3-6H,7-10H2,1-2H3
InChIKeyGOGJXPGHTOACBQ-UHFFFAOYSA-N
MW331.82 g/mol
LogP0.90
Rot. Bonds3

About 4-(2-chlorobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(2-chlorobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 849903) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.82 g/mol. Its IUPAC name is 4-(2-chlorobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-chlorobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID849903
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.82 g/mol
Exact Mass331.08
IUPAC Name4-(2-chlorobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C13H18ClN3O3S/c1-15(2)21(19,20)17-9-7-16(8-10-17)13(18)11-5-3-4-6-12(11)14/h3-6H,7-10H2,1-2H3
InChIKeyGOGJXPGHTOACBQ-UHFFFAOYSA-N
XLogP0.90
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2-chlorobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 849903) is 4-(2-chlorobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-chlorobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2-chlorobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is GOGJXPGHTOACBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3S/c1-15(2)21(19,20)17-9-7-16(8-10-17)13(18)11-5-3-4-6-12(11)14/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-(2-chlorobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(2-chlorobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 331.82 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 849903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).