N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide

C18H17BrN2O4S2 — CID 46450714

IUPACN-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=C(c1cc2cc(Br)ccc2o1)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H17BrN2O4S2/c19-13-3-4-15-12(10-13)11-16(25-15)18(22)21-7-5-14(6-8-21)20-27(23,24)17-2-1-9-26-17/h1-4,9-11,14,20H,5-8H2
InChIKeyOOLUDFKYGOOBMT-UHFFFAOYSA-N
MW469.38 g/mol
LogP3.84
Rot. Bonds4

About N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide

N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 46450714) has the molecular formula C18H17BrN2O4S2 and a molecular weight of 469.38 g/mol. Its IUPAC name is N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID46450714
Molecular FormulaC18H17BrN2O4S2
Molecular Weight469.38 g/mol
Exact Mass467.98
IUPAC NameN-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=C(c1cc2cc(Br)ccc2o1)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H17BrN2O4S2/c19-13-3-4-15-12(10-13)11-16(25-15)18(22)21-7-5-14(6-8-21)20-27(23,24)17-2-1-9-26-17/h1-4,9-11,14,20H,5-8H2
InChIKeyOOLUDFKYGOOBMT-UHFFFAOYSA-N
XLogP3.84
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 17484080
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 120622781
1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile
CID 49062183
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 71970091
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33348830
N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 49264037
(5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 97014745
[4-(5-bromo-1-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 78865868
N-[1-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 38174130

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide (CID 46450714) is N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide is O=C(c1cc2cc(Br)ccc2o1)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is OOLUDFKYGOOBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O4S2/c19-13-3-4-15-12(10-13)11-16(25-15)18(22)21-7-5-14(6-8-21)20-27(23,24)17-2-1-9-26-17/h1-4,9-11,14,20H,5-8H2.
What are the key properties of N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 469.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 46450714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).