1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide

C14H19BrN2O4S — CID 2378712

IUPAC1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H19BrN2O4S/c1-2-21-12-4-3-11(15)9-13(12)22(19,20)17-7-5-10(6-8-17)14(16)18/h3-4,9-10H,2,5-8H2,1H3,(H2,16,18)
InChIKeyXBJCKNGHIJSYIF-UHFFFAOYSA-N
MW391.29 g/mol
LogP1.73
Rot. Bonds5

About 1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide

1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 2378712) has the molecular formula C14H19BrN2O4S and a molecular weight of 391.29 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID2378712
Molecular FormulaC14H19BrN2O4S
Molecular Weight391.29 g/mol
Exact Mass390.02
IUPAC Name1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H19BrN2O4S/c1-2-21-12-4-3-11(15)9-13(12)22(19,20)17-7-5-10(6-8-17)14(16)18/h3-4,9-10H,2,5-8H2,1H3,(H2,16,18)
InChIKeyXBJCKNGHIJSYIF-UHFFFAOYSA-N
XLogP1.73
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944020
1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79873730
1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944015
1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine
CID 65245008
1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-ethylpiperazin-4-ium
CID 4280017
1-(5-bromo-2-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 16645322
(3S)-1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidine
CID 27211044
1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 934597
(2S)-1-(5-bromo-2-ethoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 2422378
2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2377022
3-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060936
1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperazine
CID 65450331

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 2378712) is 1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide is CCOc1ccc(Br)cc1S(=O)(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is XBJCKNGHIJSYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O4S/c1-2-21-12-4-3-11(15)9-13(12)22(19,20)17-7-5-10(6-8-17)14(16)18/h3-4,9-10H,2,5-8H2,1H3,(H2,16,18).
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide?
1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 391.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2378712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).