N-[2-(2-chlorophenoxy)ethyl]-3-cyano-N-phenylbenzenesulfonamide

C21H17ClN2O3S — CID 25468270

IUPACN-[2-(2-chlorophenoxy)ethyl]-3-cyano-N-phenylbenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)N(CCOc2ccccc2Cl)c2ccccc2)c1
InChIInChI=1S/C21H17ClN2O3S/c22-20-11-4-5-12-21(20)27-14-13-24(18-8-2-1-3-9-18)28(25,26)19-10-6-7-17(15-19)16-23/h1-12,15H,13-14H2
InChIKeyZJXBNNPCKZEFCI-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.49
Rot. Bonds7

About N-[2-(2-chlorophenoxy)ethyl]-3-cyano-N-phenylbenzenesulfonamide

N-[2-(2-chlorophenoxy)ethyl]-3-cyano-N-phenylbenzenesulfonamide (PubChem CID 25468270) has the molecular formula C21H17ClN2O3S and a molecular weight of 412.90 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-3-cyano-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-3-cyano-N-phenylbenzenesulfonamide
PubChem CID25468270
Molecular FormulaC21H17ClN2O3S
Molecular Weight412.90 g/mol
Exact Mass412.06
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-3-cyano-N-phenylbenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)N(CCOc2ccccc2Cl)c2ccccc2)c1
InChIInChI=1S/C21H17ClN2O3S/c22-20-11-4-5-12-21(20)27-14-13-24(18-8-2-1-3-9-18)28(25,26)19-10-6-7-17(15-19)16-23/h1-12,15H,13-14H2
InChIKeyZJXBNNPCKZEFCI-UHFFFAOYSA-N
XLogP4.49
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 35904196
3-cyano-N-[(2S)-2-hydroxybutyl]-N-phenylbenzenesulfonamide
CID 95155706
N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 3252921
3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223799
4-(3-chloro-2-cyanophenoxy)-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 3706036
4-(3-chloro-2-cyanophenoxy)-N-ethyl-N-phenylbenzenesulfonamide
CID 3716205
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 9317045
4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxybenzonitrile
CID 2985466
3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61060489
N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline
CID 54482087
N-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide
CID 75376412
N-[2-(2-acetylphenoxy)ethyl]-2-cyano-N-phenylbenzenesulfonamide
CID 38263325

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-3-cyano-N-phenylbenzenesulfonamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-3-cyano-N-phenylbenzenesulfonamide (CID 25468270) is N-[2-(2-chlorophenoxy)ethyl]-3-cyano-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-3-cyano-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-3-cyano-N-phenylbenzenesulfonamide is N#Cc1cccc(S(=O)(=O)N(CCOc2ccccc2Cl)c2ccccc2)c1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-3-cyano-N-phenylbenzenesulfonamide?
The InChIKey is ZJXBNNPCKZEFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3S/c22-20-11-4-5-12-21(20)27-14-13-24(18-8-2-1-3-9-18)28(25,26)19-10-6-7-17(15-19)16-23/h1-12,15H,13-14H2.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-3-cyano-N-phenylbenzenesulfonamide?
N-[2-(2-chlorophenoxy)ethyl]-3-cyano-N-phenylbenzenesulfonamide has a molecular weight of 412.90 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-3-cyano-N-phenylbenzenesulfonamide is sourced from PubChem (CID 25468270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).