N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide

C14H19BrN2O3S — CID 60767390

IUPACN-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C14H19BrN2O3S/c1-2-21(19,20)16-11-7-9-17(10-8-11)14(18)12-5-3-4-6-13(12)15/h3-6,11,16H,2,7-10H2,1H3
InChIKeySXPNQVFOWURQKY-UHFFFAOYSA-N
MW375.29 g/mol
LogP1.99
Rot. Bonds4

About N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide

N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide (PubChem CID 60767390) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide
PubChem CID60767390
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC NameN-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C14H19BrN2O3S/c1-2-21(19,20)16-11-7-9-17(10-8-11)14(18)12-5-3-4-6-13(12)15/h3-6,11,16H,2,7-10H2,1H3
InChIKeySXPNQVFOWURQKY-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 119944714
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide
CID 108558019
N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563963
N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899
N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60758403
N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563568
1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one
CID 52867615
N-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549654
N-[1-(2-hydroxy-1,3-dihydroindene-2-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 139005789
1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005882
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 108563505

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide (CID 60767390) is N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)c2ccccc2Br)CC1.
What is the InChIKey of N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is SXPNQVFOWURQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-2-21(19,20)16-11-7-9-17(10-8-11)14(18)12-5-3-4-6-13(12)15/h3-6,11,16H,2,7-10H2,1H3.
What are the key properties of N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide?
N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 375.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 60767390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).