4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide

C14H20BrFN2O2S — CID 107650164

IUPAC4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCNCC1)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H20BrFN2O2S/c1-2-18(10-11-5-7-17-8-6-11)21(19,20)12-3-4-13(15)14(16)9-12/h3-4,9,11,17H,2,5-8,10H2,1H3
InChIKeyYTPQRMXMJUGJFE-UHFFFAOYSA-N
MW379.30 g/mol
LogP2.60
Rot. Bonds5

About 4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide

4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide (PubChem CID 107650164) has the molecular formula C14H20BrFN2O2S and a molecular weight of 379.30 g/mol. Its IUPAC name is 4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
PubChem CID107650164
Molecular FormulaC14H20BrFN2O2S
Molecular Weight379.30 g/mol
Exact Mass378.04
IUPAC Name4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCNCC1)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H20BrFN2O2S/c1-2-18(10-11-5-7-17-8-6-11)21(19,20)12-3-4-13(15)14(16)9-12/h3-4,9,11,17H,2,5-8,10H2,1H3
InChIKeyYTPQRMXMJUGJFE-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 107650163
4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 103828881
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697406
4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79702963
2-bromo-5-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63954323
N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 81437108
2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79701650
2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide
CID 79716659
4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 107650210
4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 103697234
3-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 115328827
4-amino-N-(cyclopropylmethyl)-N-ethyl-3-methoxybenzenesulfonamide
CID 81438555

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide (CID 107650164) is 4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide is CCN(CC1CCNCC1)S(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide?
The InChIKey is YTPQRMXMJUGJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O2S/c1-2-18(10-11-5-7-17-8-6-11)21(19,20)12-3-4-13(15)14(16)9-12/h3-4,9,11,17H,2,5-8,10H2,1H3.
What are the key properties of 4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide?
4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide has a molecular weight of 379.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 107650164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).