2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide

C14H20ClFN2O2S — CID 79701650

IUPAC2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCNCC1)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H20ClFN2O2S/c1-2-18(10-11-5-7-17-8-6-11)21(19,20)14-4-3-12(16)9-13(14)15/h3-4,9,11,17H,2,5-8,10H2,1H3
InChIKeyLMZDBTUSTOJDAR-UHFFFAOYSA-N
MW334.84 g/mol
LogP2.49
Rot. Bonds5

About 2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide

2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide (PubChem CID 79701650) has the molecular formula C14H20ClFN2O2S and a molecular weight of 334.84 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
PubChem CID79701650
Molecular FormulaC14H20ClFN2O2S
Molecular Weight334.84 g/mol
Exact Mass334.09
IUPAC Name2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCNCC1)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H20ClFN2O2S/c1-2-18(10-11-5-7-17-8-6-11)21(19,20)14-4-3-12(16)9-13(14)15/h3-4,9,11,17H,2,5-8,10H2,1H3
InChIKeyLMZDBTUSTOJDAR-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806432
2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299481
2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60807123
2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63955321
2-chloro-4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608467
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
2-[(2-chloro-4-fluorophenyl)sulfonyl-ethylamino]acetic acid
CID 54900227
4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 107650164
4-(2-chloro-4-fluorophenyl)sulfonylpiperidine
CID 170075092
2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide
CID 79716659
2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63644245
N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920810

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide (CID 79701650) is 2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide is CCN(CC1CCNCC1)S(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide?
The InChIKey is LMZDBTUSTOJDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2S/c1-2-18(10-11-5-7-17-8-6-11)21(19,20)14-4-3-12(16)9-13(14)15/h3-4,9,11,17H,2,5-8,10H2,1H3.
What are the key properties of 2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide?
2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide has a molecular weight of 334.84 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 79701650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).