1-(5-bromothiophen-2-yl)sulfonyl-N-(1H-indazol-6-yl)piperidine-2-carboxamide

C17H17BrN4O3S2 — CID 166188077

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-(1H-indazol-6-yl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)C1CCCCN1S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C17H17BrN4O3S2/c18-15-6-7-16(26-15)27(24,25)22-8-2-1-3-14(22)17(23)20-12-5-4-11-10-19-21-13(11)9-12/h4-7,9-10,14H,1-3,8H2,(H,19,21)(H,20,23)
InChIKeyUMNDKKMHSNJRGA-UHFFFAOYSA-N
MW469.39 g/mol
LogP3.57
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)sulfonyl-N-(1H-indazol-6-yl)piperidine-2-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-(1H-indazol-6-yl)piperidine-2-carboxamide (PubChem CID 166188077) has the molecular formula C17H17BrN4O3S2 and a molecular weight of 469.39 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-(1H-indazol-6-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-(1H-indazol-6-yl)piperidine-2-carboxamide
PubChem CID166188077
Molecular FormulaC17H17BrN4O3S2
Molecular Weight469.39 g/mol
Exact Mass467.99
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-(1H-indazol-6-yl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)C1CCCCN1S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C17H17BrN4O3S2/c18-15-6-7-16(26-15)27(24,25)22-8-2-1-3-14(22)17(23)20-12-5-4-11-10-19-21-13(11)9-12/h4-7,9-10,14H,1-3,8H2,(H,19,21)(H,20,23)
InChIKeyUMNDKKMHSNJRGA-UHFFFAOYSA-N
XLogP3.57
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-N-(4-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 24627635
(2S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 25493284
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 51646909
[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 43043075
N-(1H-indazol-6-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 136529699
1-(5-bromothiophen-2-yl)sulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 24627526
N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110731200
(2R)-N-(1,3-benzothiazol-6-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide
CID 29259646
1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 4522839
1-cyclohexyl-N-(1H-indazol-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 110678542
(2R)-N-(1,3-benzodioxol-5-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide
CID 27555576
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 16826697

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(1H-indazol-6-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(1H-indazol-6-yl)piperidine-2-carboxamide (CID 166188077) is 1-(5-bromothiophen-2-yl)sulfonyl-N-(1H-indazol-6-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-(1H-indazol-6-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-(1H-indazol-6-yl)piperidine-2-carboxamide is O=C(Nc1ccc2cn[nH]c2c1)C1CCCCN1S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-(1H-indazol-6-yl)piperidine-2-carboxamide?
The InChIKey is UMNDKKMHSNJRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O3S2/c18-15-6-7-16(26-15)27(24,25)22-8-2-1-3-14(22)17(23)20-12-5-4-11-10-19-21-13(11)9-12/h4-7,9-10,14H,1-3,8H2,(H,19,21)(H,20,23).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-(1H-indazol-6-yl)piperidine-2-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-(1H-indazol-6-yl)piperidine-2-carboxamide has a molecular weight of 469.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N-(1H-indazol-6-yl)piperidine-2-carboxamide is sourced from PubChem (CID 166188077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).