4-bromo-N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide

C19H26BrN3O2S2 — CID 3242881

IUPAC4-bromo-N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILESCCN1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H26BrN3O2S2/c1-3-22-10-12-23(13-11-22)19(18-5-4-14-26-18)15(2)21-27(24,25)17-8-6-16(20)7-9-17/h4-9,14-15,19,21H,3,10-13H2,1-2H3
InChIKeyNTRYPVBJLOOOHU-UHFFFAOYSA-N
MW472.47 g/mol
LogP3.56
Rot. Bonds7

About 4-bromo-N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide

4-bromo-N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide (PubChem CID 3242881) has the molecular formula C19H26BrN3O2S2 and a molecular weight of 472.47 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
PubChem CID3242881
Molecular FormulaC19H26BrN3O2S2
Molecular Weight472.47 g/mol
Exact Mass471.06
IUPAC Name4-bromo-N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILESCCN1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H26BrN3O2S2/c1-3-22-10-12-23(13-11-22)19(18-5-4-14-26-18)15(2)21-27(24,25)17-8-6-16(20)7-9-17/h4-9,14-15,19,21H,3,10-13H2,1-2H3
InChIKeyNTRYPVBJLOOOHU-UHFFFAOYSA-N
XLogP3.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-propyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519194
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 3236587
4-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3238758
4-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3242269
4-bromo-N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 5310120
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 6710502
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 3240790
N-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)-4-fluorobenzenesulfonamide
CID 5310550
N-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)-4-methylbenzenesulfonamide
CID 6622340
4-bromo-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 12006185
5-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]thiophene-2-sulfonamide
CID 49747672
N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]ethanesulfonamide
CID 3240176

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide (CID 3242881) is 4-bromo-N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide is CCN1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-bromo-N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The InChIKey is NTRYPVBJLOOOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN3O2S2/c1-3-22-10-12-23(13-11-22)19(18-5-4-14-26-18)15(2)21-27(24,25)17-8-6-16(20)7-9-17/h4-9,14-15,19,21H,3,10-13H2,1-2H3.
What are the key properties of 4-bromo-N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
4-bromo-N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide has a molecular weight of 472.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 3242881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).