4-(3-bromobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide

C13H18BrN3O3S — CID 991670

IUPAC4-(3-bromobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C13H18BrN3O3S/c1-15(2)21(19,20)17-8-6-16(7-9-17)13(18)11-4-3-5-12(14)10-11/h3-5,10H,6-9H2,1-2H3
InChIKeyGHLYPZJIELKYQM-UHFFFAOYSA-N
MW376.28 g/mol
LogP1.01
Rot. Bonds3

About 4-(3-bromobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(3-bromobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 991670) has the molecular formula C13H18BrN3O3S and a molecular weight of 376.28 g/mol. Its IUPAC name is 4-(3-bromobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-bromobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID991670
Molecular FormulaC13H18BrN3O3S
Molecular Weight376.28 g/mol
Exact Mass375.03
IUPAC Name4-(3-bromobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C13H18BrN3O3S/c1-15(2)21(19,20)17-8-6-16(7-9-17)13(18)11-4-3-5-12(14)10-11/h3-5,10H,6-9H2,1-2H3
InChIKeyGHLYPZJIELKYQM-UHFFFAOYSA-N
XLogP1.01
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(3-bromobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 991670) is 4-(3-bromobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-bromobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(3-bromobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 4-(3-bromobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is GHLYPZJIELKYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3S/c1-15(2)21(19,20)17-8-6-16(7-9-17)13(18)11-4-3-5-12(14)10-11/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 4-(3-bromobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(3-bromobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 376.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 991670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).