4-chloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide

C19H17ClN2O2S — CID 2807131

IUPAC4-chloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCc2ccccn2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O2S/c20-16-8-11-19(12-9-16)25(23,24)22-18-6-3-4-15(14-18)7-10-17-5-1-2-13-21-17/h1-6,8-9,11-14,22H,7,10H2
InChIKeyPISXJEPSDSFZCP-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.32
Rot. Bonds6

About 4-chloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide

4-chloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide (PubChem CID 2807131) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 4-chloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide
PubChem CID2807131
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name4-chloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCc2ccccn2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O2S/c20-16-8-11-19(12-9-16)25(23,24)22-18-6-3-4-15(14-18)7-10-17-5-1-2-13-21-17/h1-6,8-9,11-14,22H,7,10H2
InChIKeyPISXJEPSDSFZCP-UHFFFAOYSA-N
XLogP4.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-{1-[(4-Chlorophenyl)sulfonyl]piperidin-2-yl}pyridine
CID 2894141
N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide
CID 25266674
1-(4-Chloro-benzenesulfonyl)-4-pyridin-3-ylmethyl-piperazine
CID 600536
4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402
Substituted phenylsulfonyltryptamine, 11d
CID 23655289
Substituted phenylsulfonyltryptamine, 11f
CID 23655462
4-chloro-N-[8-pyridin-3-yl-5-[2-(5H-tetrazol-5-yl)ethyl]octyl]benzenesulfonamide
CID 14986690
1-(2-Chloro-benzenesulfonyl)-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 44389003
6-chloro-N-ethyl-N-(1-naphthyl)-3-pyridinesulfonamide
CID 1236939
4-chloro-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 2426990
3-{1-[(4-Chlorophenyl)sulfonyl]-2-pyrrolidinyl}pyridine
CID 2738276
N1-{3-[2-(2-pyridyl)ethyl]phenyl}-2,5-dichlorobenzene-1-sulfonamide
CID 2807133

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide (CID 2807131) is 4-chloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(CCc2ccccn2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide?
The InChIKey is PISXJEPSDSFZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c20-16-8-11-19(12-9-16)25(23,24)22-18-6-3-4-15(14-18)7-10-17-5-1-2-13-21-17/h1-6,8-9,11-14,22H,7,10H2.
What are the key properties of 4-chloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide?
4-chloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide has a molecular weight of 372.88 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(2-pyridin-2-ylethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2807131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).