5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide

C22H19BrClN5O2S2 — CID 2329991

IUPAC5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1N1CCN(c2ccccc2Cl)CC1)c1ccc(Br)s1
InChIInChI=1S/C22H19BrClN5O2S2/c23-19-9-10-20(32-19)33(30,31)27-21-22(26-17-7-3-2-6-16(17)25-21)29-13-11-28(12-14-29)18-8-4-1-5-15(18)24/h1-10H,11-14H2,(H,25,27)
InChIKeyKICAPUITPGRNSI-UHFFFAOYSA-N
MW564.92 g/mol
LogP5.23
Rot. Bonds5

About 5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide

5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 2329991) has the molecular formula C22H19BrClN5O2S2 and a molecular weight of 564.92 g/mol. Its IUPAC name is 5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID2329991
Molecular FormulaC22H19BrClN5O2S2
Molecular Weight564.92 g/mol
Exact Mass562.99
IUPAC Name5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1N1CCN(c2ccccc2Cl)CC1)c1ccc(Br)s1
InChIInChI=1S/C22H19BrClN5O2S2/c23-19-9-10-20(32-19)33(30,31)27-21-22(26-17-7-3-2-6-16(17)25-21)29-13-11-28(12-14-29)18-8-4-1-5-15(18)24/h1-10H,11-14H2,(H,25,27)
InChIKeyKICAPUITPGRNSI-UHFFFAOYSA-N
XLogP5.23
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.92
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-5-bromothiophene-2-sulfonamide
CID 2329982
N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide
CID 2444391
5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444083
4-bromo-N-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 25037574
5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2443953
5-chloro-N-[3-(2-chloroanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444236
4-[[3-[(5-bromothiophen-2-yl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 7042041
5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444026
5-chloro-N-[3-(3-pyrrolidin-1-ylsulfonylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 3963778
5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444182
ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate
CID 25036116
1-(5-bromothiophen-2-yl)sulfonyl-4-(3-chloro-4-pyridinyl)piperazine
CID 133351705

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide (CID 2329991) is 5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1nc2ccccc2nc1N1CCN(c2ccccc2Cl)CC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is KICAPUITPGRNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrClN5O2S2/c23-19-9-10-20(32-19)33(30,31)27-21-22(26-17-7-3-2-6-16(17)25-21)29-13-11-28(12-14-29)18-8-4-1-5-15(18)24/h1-10H,11-14H2,(H,25,27).
What are the key properties of 5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide?
5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 564.92 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2329991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).