4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide

C17H21BrN2O2S2 — CID 16932837

IUPAC4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccsc1)N1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN2O2S2/c18-15-4-6-16(7-5-15)24(21,22)19-12-17(14-8-11-23-13-14)20-9-2-1-3-10-20/h4-8,11,13,17,19H,1-3,9-10,12H2
InChIKeyXCWZKZGEYMPKOR-UHFFFAOYSA-N
MW429.41 g/mol
LogP4.02
Rot. Bonds6

About 4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide

4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 16932837) has the molecular formula C17H21BrN2O2S2 and a molecular weight of 429.41 g/mol. Its IUPAC name is 4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID16932837
Molecular FormulaC17H21BrN2O2S2
Molecular Weight429.41 g/mol
Exact Mass428.02
IUPAC Name4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccsc1)N1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN2O2S2/c18-15-4-6-16(7-5-15)24(21,22)19-12-17(14-8-11-23-13-14)20-9-2-1-3-10-20/h4-8,11,13,17,19H,1-3,9-10,12H2
InChIKeyXCWZKZGEYMPKOR-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933137
4-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932838
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide
CID 16933238
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-fluorobenzenesulfonamide
CID 40863945
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933039
4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 40863323
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]naphthalene-2-sulfonamide
CID 40863993
N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide
CID 16933276
N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]butanamide
CID 16933277
N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16933043
3-chloro-4-fluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 40863071
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 16933285

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide (CID 16932837) is 4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide is O=S(=O)(NCC(c1ccsc1)N1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is XCWZKZGEYMPKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2S2/c18-15-4-6-16(7-5-15)24(21,22)19-12-17(14-8-11-23-13-14)20-9-2-1-3-10-20/h4-8,11,13,17,19H,1-3,9-10,12H2.
What are the key properties of 4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 429.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 16932837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).