N-(2-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C16H17BrN2O3S2 — CID 2307871

IUPACN-(2-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Br)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H17BrN2O3S2/c17-13-4-1-2-5-14(13)18-16(20)12-7-9-19(10-8-12)24(21,22)15-6-3-11-23-15/h1-6,11-12H,7-10H2,(H,18,20)
InChIKeyNRTYECBKRTXYED-UHFFFAOYSA-N
MW429.36 g/mol
LogP3.55
Rot. Bonds4

About N-(2-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(2-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2307871) has the molecular formula C16H17BrN2O3S2 and a molecular weight of 429.36 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2307871
Molecular FormulaC16H17BrN2O3S2
Molecular Weight429.36 g/mol
Exact Mass427.99
IUPAC NameN-(2-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Br)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H17BrN2O3S2/c17-13-4-1-2-5-14(13)18-16(20)12-7-9-19(10-8-12)24(21,22)15-6-3-11-23-15/h1-6,11-12H,7-10H2,(H,18,20)
InChIKeyNRTYECBKRTXYED-UHFFFAOYSA-N
XLogP3.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfonamide deriv., 5d
CID 44520899
(4-Phenylpiperazin-1-yl)(1-(thiophen-2-ylsulfonyl)piperidin-4-yl)methanone
CID 1190372
N-(4-fluorophenyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053794
N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3236695
N-(4-Bromo-3-methylphenyl)-1-[(5-bromothiophen-2-YL)sulfonyl]piperidine-3-carboxamide
CID 15989602
N-(2-bromophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2414996
N-(3,4-difluorophenyl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2506798
N-[4-(4-Methyl-piperidine-1-sulfonyl)-phenyl]-2-thiophen-2-yl-acetamide
CID 2931550
5-bromo-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 3241003
1-{1-[(5-Bromothiophen-2-yl)sulfonyl]piperidine-4-carbonyl}-4-phenylpiperazine
CID 3640171
5-Bromo-N-({4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexyl}methyl)thiophene-2-sulfonamide
CID 4525456
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 15989552

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2307871) is N-(2-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1ccccc1Br)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(2-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is NRTYECBKRTXYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S2/c17-13-4-1-2-5-14(13)18-16(20)12-7-9-19(10-8-12)24(21,22)15-6-3-11-23-15/h1-6,11-12H,7-10H2,(H,18,20).
What are the key properties of N-(2-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(2-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 429.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2307871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).