N-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide

C15H15Br2N3O3S2 — CID 17217969

IUPACN-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Br)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C15H15Br2N3O3S2/c16-11-3-1-2-4-12(11)18-15(21)19-7-9-20(10-8-19)25(22,23)14-6-5-13(17)24-14/h1-6H,7-10H2,(H,18,21)
InChIKeyIXBBOJDIEYFDJR-UHFFFAOYSA-N
MW509.25 g/mol
LogP3.81
Rot. Bonds3

About N-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide

N-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide (PubChem CID 17217969) has the molecular formula C15H15Br2N3O3S2 and a molecular weight of 509.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide
PubChem CID17217969
Molecular FormulaC15H15Br2N3O3S2
Molecular Weight509.25 g/mol
Exact Mass506.89
IUPAC NameN-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Br)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C15H15Br2N3O3S2/c16-11-3-1-2-4-12(11)18-15(21)19-7-9-20(10-8-19)25(22,23)14-6-5-13(17)24-14/h1-6H,7-10H2,(H,18,21)
InChIKeyIXBBOJDIEYFDJR-UHFFFAOYSA-N
XLogP3.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.25
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide
CID 47191929
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 55355706
N-(2-bromophenyl)-4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carboxamide
CID 17217976
[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 112766465
1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylsulfanylethanone
CID 9298446
1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-3-methylbut-2-en-1-one
CID 9298516
1-[4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one
CID 166406230
N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103489
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6470800
1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-prop-2-enylsulfanylethanone
CID 55774135
1,3-benzodioxol-4-yl-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 55819181

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide (CID 17217969) is N-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide is O=C(Nc1ccccc1Br)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of N-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide?
The InChIKey is IXBBOJDIEYFDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N3O3S2/c16-11-3-1-2-4-12(11)18-15(21)19-7-9-20(10-8-19)25(22,23)14-6-5-13(17)24-14/h1-6H,7-10H2,(H,18,21).
What are the key properties of N-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide?
N-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide has a molecular weight of 509.25 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 17217969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).