2,5-dichloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide

C19H16Cl2N2O2S — CID 2807133

IUPAC2,5-dichloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCc2ccccn2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H16Cl2N2O2S/c20-15-8-10-18(21)19(13-15)26(24,25)23-17-6-3-4-14(12-17)7-9-16-5-1-2-11-22-16/h1-6,8,10-13,23H,7,9H2
InChIKeyDYCQUAOZXPKXNF-UHFFFAOYSA-N
MW407.32 g/mol
LogP4.97
Rot. Bonds6

About 2,5-dichloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide

2,5-dichloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide (PubChem CID 2807133) has the molecular formula C19H16Cl2N2O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide
PubChem CID2807133
Molecular FormulaC19H16Cl2N2O2S
Molecular Weight407.32 g/mol
Exact Mass406.03
IUPAC Name2,5-dichloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCc2ccccn2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H16Cl2N2O2S/c20-15-8-10-18(21)19(13-15)26(24,25)23-17-6-3-4-14(12-17)7-9-16-5-1-2-11-22-16/h1-6,8,10-13,23H,7,9H2
InChIKeyDYCQUAOZXPKXNF-UHFFFAOYSA-N
XLogP4.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide (CID 2807133) is 2,5-dichloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(CCc2ccccn2)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide?
The InChIKey is DYCQUAOZXPKXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2S/c20-15-8-10-18(21)19(13-15)26(24,25)23-17-6-3-4-14(12-17)7-9-16-5-1-2-11-22-16/h1-6,8,10-13,23H,7,9H2.
What are the key properties of 2,5-dichloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide?
2,5-dichloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide has a molecular weight of 407.32 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2807133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).