3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide

C20H19ClN2O2S — CID 121084535

IUPAC3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(Cl)c1)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C20H19ClN2O2S/c21-18-9-6-11-20(15-18)26(24,25)23(16-19-10-4-5-13-22-19)14-12-17-7-2-1-3-8-17/h1-11,13,15H,12,14,16H2
InChIKeyVUMAMCKYBNSELP-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.17
Rot. Bonds7

About 3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide

3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 121084535) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is 3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID121084535
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(Cl)c1)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C20H19ClN2O2S/c21-18-9-6-11-20(15-18)26(24,25)23(16-19-10-4-5-13-22-19)14-12-17-7-2-1-3-8-17/h1-11,13,15H,12,14,16H2
InChIKeyVUMAMCKYBNSELP-UHFFFAOYSA-N
XLogP4.17
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid
CID 146128222
4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084565
3-fluoro-4-methoxy-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084554
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2814680
N-[4-[2-phenylethyl(pyridin-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 121084567
4-(1,1-dioxothiazinan-2-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 71796625
3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084605
N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 175361860
N,N-dibenzyl-3-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide
CID 59826052
N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 121126866
4-(2-chloroethyl)-N-(3-methoxypropyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 4209599
3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189251

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 121084535) is 3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1cccc(Cl)c1)N(CCc1ccccc1)Cc1ccccn1.
What is the InChIKey of 3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is VUMAMCKYBNSELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c21-18-9-6-11-20(15-18)26(24,25)23(16-19-10-4-5-13-22-19)14-12-17-7-2-1-3-8-17/h1-11,13,15H,12,14,16H2.
What are the key properties of 3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 386.90 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 121084535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).