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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Related Compounds

3-[1-(4-Chlorophenyl)sulfonylpiperidin-2-yl]pyridine
CID 2894141
N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide
CID 25266674
N1-{3-[2-(2-pyridyl)ethyl]phenyl}-4-chlorobenzene-1-sulfonamide
CID 2807131
Substituted phenylsulfonyltryptamine, 11d
CID 23655289
1-(2-Chloro-benzenesulfonyl)-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 44389003
6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide
CID 1236939
2,5-dichloro-N-(3-chloro-4-pyridinyl)benzenesulfonamide
CID 2444857
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
2,4-dichloro-N-quinolin-8-yl-benzenesulfonamide
CID 3811716
4-(5-Chloro-6''-methyl-[2,3'']bipyridinyl-3-yl)-benzenesulfonamide
CID 10269858
1-(3-Chloro-benzenesulfonyl)-3-piperidin-3-yl-1H-indole
CID 10270799
1-[1-(benzenesulfonyl)-5-(2-chloro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine
CID 25007652

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).