4-bromo-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

C15H21BrN2O3S — CID 17192335

IUPAC4-bromo-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC1CCCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrN2O3S/c1-12-3-2-10-18(11-12)15(19)8-9-17-22(20,21)14-6-4-13(16)5-7-14/h4-7,12,17H,2-3,8-11H2,1H3
InChIKeyQTCUKQFNVFBREM-UHFFFAOYSA-N
MW389.32 g/mol
LogP2.38
Rot. Bonds5

About 4-bromo-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

4-bromo-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 17192335) has the molecular formula C15H21BrN2O3S and a molecular weight of 389.32 g/mol. Its IUPAC name is 4-bromo-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID17192335
Molecular FormulaC15H21BrN2O3S
Molecular Weight389.32 g/mol
Exact Mass388.05
IUPAC Name4-bromo-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC1CCCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrN2O3S/c1-12-3-2-10-18(11-12)15(19)8-9-17-22(20,21)14-6-4-13(16)5-7-14/h4-7,12,17H,2-3,8-11H2,1H3
InChIKeyQTCUKQFNVFBREM-UHFFFAOYSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (CID 17192335) is 4-bromo-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is CC1CCCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 4-bromo-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is QTCUKQFNVFBREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S/c1-12-3-2-10-18(11-12)15(19)8-9-17-22(20,21)14-6-4-13(16)5-7-14/h4-7,12,17H,2-3,8-11H2,1H3.
What are the key properties of 4-bromo-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
4-bromo-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 389.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 17192335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).