N-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide

C14H20BrN3O3S — CID 110343215

IUPACN-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
SMILESCN1CCN(S(=O)(=O)CCC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrN3O3S/c1-17-7-9-18(10-8-17)22(20,21)11-6-14(19)16-13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyXYRQRHQHGLDBPY-UHFFFAOYSA-N
MW390.30 g/mol
LogP1.35
Rot. Bonds5

About N-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide

N-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide (PubChem CID 110343215) has the molecular formula C14H20BrN3O3S and a molecular weight of 390.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
PubChem CID110343215
Molecular FormulaC14H20BrN3O3S
Molecular Weight390.30 g/mol
Exact Mass389.04
IUPAC NameN-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
SMILESCN1CCN(S(=O)(=O)CCC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrN3O3S/c1-17-7-9-18(10-8-17)22(20,21)11-6-14(19)16-13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyXYRQRHQHGLDBPY-UHFFFAOYSA-N
XLogP1.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342560
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
CID 110343242
3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110343225
3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide
CID 7202615
3-morpholin-4-ylsulfonyl-N-phenylpropanamide
CID 60667161
3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 55756704
3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide
CID 56603857
3-(4-methylphenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55359512
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544356
4-(4-bromoanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 18581210
N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342568
N-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide
CID 4075609

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
The IUPAC name of N-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide (CID 110343215) is N-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide is CN1CCN(S(=O)(=O)CCC(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of N-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
The InChIKey is XYRQRHQHGLDBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3S/c1-17-7-9-18(10-8-17)22(20,21)11-6-14(19)16-13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3,(H,16,19).
What are the key properties of N-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide?
N-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide has a molecular weight of 390.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide is sourced from PubChem (CID 110343215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).