4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide

C15H22BrN3O3S — CID 27534495

IUPAC4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H22BrN3O3S/c1-12(2)11-17-15(20)18-6-8-19(9-7-18)23(21,22)14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11H2,1-2H3,(H,17,20)
InChIKeyJOFZSTNAJUNELT-UHFFFAOYSA-N
MW404.33 g/mol
LogP2.12
Rot. Bonds4

About 4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide

4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 27534495) has the molecular formula C15H22BrN3O3S and a molecular weight of 404.33 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID27534495
Molecular FormulaC15H22BrN3O3S
Molecular Weight404.33 g/mol
Exact Mass403.06
IUPAC Name4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H22BrN3O3S/c1-12(2)11-17-15(20)18-6-8-19(9-7-18)23(21,22)14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11H2,1-2H3,(H,17,20)
InChIKeyJOFZSTNAJUNELT-UHFFFAOYSA-N
XLogP2.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 9266280
4-(3-bromophenyl)sulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperazine-1-carboxamide
CID 27534090
4-(benzenesulfonyl)-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 60601958
N-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55634596
4-(3-bromophenyl)sulfonyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 27868289
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylpropanamide
CID 60516391
4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 27534466
4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide
CID 41256143
4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide
CID 61127355
(2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 9025380
1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-ethylphenyl)propan-1-one
CID 24635421
3-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109062779

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide (CID 27534495) is 4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide is CC(C)CNC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is JOFZSTNAJUNELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O3S/c1-12(2)11-17-15(20)18-6-8-19(9-7-18)23(21,22)14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11H2,1-2H3,(H,17,20).
What are the key properties of 4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide?
4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 404.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 27534495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).