2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide

C13H17Cl2FN2O2S — CID 103088990

IUPAC2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCC1CCCNC1)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C13H17Cl2FN2O2S/c14-10-3-4-11(12(15)13(10)16)21(19,20)18-7-5-9-2-1-6-17-8-9/h3-4,9,17-18H,1-2,5-8H2
InChIKeyMMJXWWHSRFYIBF-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.80
Rot. Bonds5

About 2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide

2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 103088990) has the molecular formula C13H17Cl2FN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID103088990
Molecular FormulaC13H17Cl2FN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.04
IUPAC Name2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCC1CCCNC1)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C13H17Cl2FN2O2S/c14-10-3-4-11(12(15)13(10)16)21(19,20)18-7-5-9-2-1-6-17-8-9/h3-4,9,17-18H,1-2,5-8H2
InChIKeyMMJXWWHSRFYIBF-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124690405
4-chloro-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979704
2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
CID 55249577
2,3,4-trifluoro-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]benzenesulfonamide
CID 129379078
4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 119979324
2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
CID 119979396
3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895192
3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895184
2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide
CID 103088944
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 63629233
2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 120710016
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide (CID 103088990) is 2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide is O=S(=O)(NCCC1CCCNC1)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is MMJXWWHSRFYIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2FN2O2S/c14-10-3-4-11(12(15)13(10)16)21(19,20)18-7-5-9-2-1-6-17-8-9/h3-4,9,17-18H,1-2,5-8H2.
What are the key properties of 2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 103088990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).