1-(4-bromophenyl)sulfonyl-N-propan-2-ylpiperidine-2-carboxamide

C15H21BrN2O3S — CID 17432958

IUPAC1-(4-bromophenyl)sulfonyl-N-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)NC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O3S/c1-11(2)17-15(19)14-5-3-4-10-18(14)22(20,21)13-8-6-12(16)7-9-13/h6-9,11,14H,3-5,10H2,1-2H3,(H,17,19)
InChIKeyFJHXZNYBOGHONZ-UHFFFAOYSA-N
MW389.32 g/mol
LogP2.52
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-N-propan-2-ylpiperidine-2-carboxamide

1-(4-bromophenyl)sulfonyl-N-propan-2-ylpiperidine-2-carboxamide (PubChem CID 17432958) has the molecular formula C15H21BrN2O3S and a molecular weight of 389.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-propan-2-ylpiperidine-2-carboxamide
PubChem CID17432958
Molecular FormulaC15H21BrN2O3S
Molecular Weight389.32 g/mol
Exact Mass388.05
IUPAC Name1-(4-bromophenyl)sulfonyl-N-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)NC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O3S/c1-11(2)17-15(19)14-5-3-4-10-18(14)22(20,21)13-8-6-12(16)7-9-13/h6-9,11,14H,3-5,10H2,1-2H3,(H,17,19)
InChIKeyFJHXZNYBOGHONZ-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-propan-2-ylpiperidine-2-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-propan-2-ylpiperidine-2-carboxamide (CID 17432958) is 1-(4-bromophenyl)sulfonyl-N-propan-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-propan-2-ylpiperidine-2-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-propan-2-ylpiperidine-2-carboxamide is CC(C)NC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-propan-2-ylpiperidine-2-carboxamide?
The InChIKey is FJHXZNYBOGHONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S/c1-11(2)17-15(19)14-5-3-4-10-18(14)22(20,21)13-8-6-12(16)7-9-13/h6-9,11,14H,3-5,10H2,1-2H3,(H,17,19).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-propan-2-ylpiperidine-2-carboxamide?
1-(4-bromophenyl)sulfonyl-N-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 389.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-N-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 17432958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).