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

C16H17BrN2O4S2 — CID 17484080

IUPACN-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=C(c1cc(Br)ccc1O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H17BrN2O4S2/c17-11-3-4-14(20)13(10-11)16(21)19-7-5-12(6-8-19)18-25(22,23)15-2-1-9-24-15/h1-4,9-10,12,18,20H,5-8H2
InChIKeyJLFZSBAQUHXJOJ-UHFFFAOYSA-N
MW445.36 g/mol
LogP2.80
Rot. Bonds4

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

N-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 17484080) has the molecular formula C16H17BrN2O4S2 and a molecular weight of 445.36 g/mol. Its IUPAC name is N-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID17484080
Molecular FormulaC16H17BrN2O4S2
Molecular Weight445.36 g/mol
Exact Mass443.98
IUPAC NameN-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=C(c1cc(Br)ccc1O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H17BrN2O4S2/c17-11-3-4-14(20)13(10-11)16(21)19-7-5-12(6-8-19)18-25(22,23)15-2-1-9-24-15/h1-4,9-10,12,18,20H,5-8H2
InChIKeyJLFZSBAQUHXJOJ-UHFFFAOYSA-N
XLogP2.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 46450714
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 120622781
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186
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-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-(4-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 55475048
N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33348830
N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 55484909
N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 46565675
4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide
CID 166343391

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide (CID 17484080) is N-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide is O=C(c1cc(Br)ccc1O)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is JLFZSBAQUHXJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S2/c17-11-3-4-14(20)13(10-11)16(21)19-7-5-12(6-8-19)18-25(22,23)15-2-1-9-24-15/h1-4,9-10,12,18,20H,5-8H2.
What are the key properties of N-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 445.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 17484080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).