2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide

C15H19BrN2O3S — CID 9442255

IUPAC2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br
InChIInChI=1S/C15H19BrN2O3S/c1-2-8-17-15(19)13-11-12(6-7-14(13)16)22(20,21)18-9-4-3-5-10-18/h2,6-7,11H,1,3-5,8-10H2,(H,17,19)
InChIKeyBIQNPXNDLMFGFK-UHFFFAOYSA-N
MW387.30 g/mol
LogP2.54
Rot. Bonds5

About 2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide

2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide (PubChem CID 9442255) has the molecular formula C15H19BrN2O3S and a molecular weight of 387.30 g/mol. Its IUPAC name is 2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
PubChem CID9442255
Molecular FormulaC15H19BrN2O3S
Molecular Weight387.30 g/mol
Exact Mass386.03
IUPAC Name2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br
InChIInChI=1S/C15H19BrN2O3S/c1-2-8-17-15(19)13-11-12(6-7-14(13)16)22(20,21)18-9-4-3-5-10-18/h2,6-7,11H,1,3-5,8-10H2,(H,17,19)
InChIKeyBIQNPXNDLMFGFK-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
CID 15993056
2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706661
2-bromo-N-(3-methylbutyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26253332
N-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55837158
2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 35162191
2-bromo-5-pyrrolidin-1-ylsulfonylbenzoic acid
CID 796412
2-bromo-N-pentan-2-yl-5-piperidin-1-ylsulfonylbenzamide
CID 42904727
2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26087511
2-bromo-N-[2-(2-fluorophenyl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 39709170
2-bromo-N-(6-methylheptan-2-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 43008075
2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26913737
2-bromo-N-[4-(diethylamino)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26087024

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide?
The IUPAC name of 2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide (CID 9442255) is 2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide?
The canonical SMILES for 2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide is C=CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br.
What is the InChIKey of 2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide?
The InChIKey is BIQNPXNDLMFGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3S/c1-2-8-17-15(19)13-11-12(6-7-14(13)16)22(20,21)18-9-4-3-5-10-18/h2,6-7,11H,1,3-5,8-10H2,(H,17,19).
What are the key properties of 2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide?
2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide has a molecular weight of 387.30 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 9442255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).