5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide

C18H14BrN5O4S3 — CID 2444083

IUPAC5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C18H14BrN5O4S3/c19-15-9-10-16(29-15)31(27,28)24-18-17(22-13-3-1-2-4-14(13)23-18)21-11-5-7-12(8-6-11)30(20,25)26/h1-10H,(H,21,22)(H,23,24)(H2,20,25,26)
InChIKeyCKQYAWGKGULGFX-UHFFFAOYSA-N
MW540.45 g/mol
LogP3.65
Rot. Bonds6

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

5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 2444083) has the molecular formula C18H14BrN5O4S3 and a molecular weight of 540.45 g/mol. Its IUPAC name is 5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID2444083
Molecular FormulaC18H14BrN5O4S3
Molecular Weight540.45 g/mol
Exact Mass538.94
IUPAC Name5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C18H14BrN5O4S3/c19-15-9-10-16(29-15)31(27,28)24-18-17(22-13-3-1-2-4-14(13)23-18)21-11-5-7-12(8-6-11)30(20,25)26/h1-10H,(H,21,22)(H,23,24)(H2,20,25,26)
InChIKeyCKQYAWGKGULGFX-UHFFFAOYSA-N
XLogP3.65
TPSA144.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.45
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-anilinoquinoxalin-2-yl)-5-bromothiophene-2-sulfonamide
CID 2444391
4-[[3-[(5-bromothiophen-2-yl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 7042041
5-bromo-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2443953
5-chloro-N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444182
5-bromo-N-[3-[3-[(2-methoxyphenyl)sulfamoyl]anilino]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 5222632
5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444026
N-[3-(4-bromoanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1383319
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
N-[3-(4-hydroxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310368
5-bromo-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2329991
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide (CID 2444083) is 5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is CKQYAWGKGULGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN5O4S3/c19-15-9-10-16(29-15)31(27,28)24-18-17(22-13-3-1-2-4-14(13)23-18)21-11-5-7-12(8-6-11)30(20,25)26/h1-10H,(H,21,22)(H,23,24)(H2,20,25,26).
What are the key properties of 5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide?
5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 540.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(4-sulfamoylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2444083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).