N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide

C19H13ClN2O3S — CID 3735130

IUPACN-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C19H13ClN2O3S/c20-15-3-7-17(8-4-15)25-18-9-5-16(6-10-18)22-26(23,24)19-11-1-14(13-21)2-12-19/h1-12,22H
InChIKeyKRGBGRZINSDXLF-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.80
Rot. Bonds5

About N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide

N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide (PubChem CID 3735130) has the molecular formula C19H13ClN2O3S and a molecular weight of 384.84 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide
PubChem CID3735130
Molecular FormulaC19H13ClN2O3S
Molecular Weight384.84 g/mol
Exact Mass384.03
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C19H13ClN2O3S/c20-15-3-7-17(8-4-15)25-18-9-5-16(6-10-18)22-26(23,24)19-11-1-14(13-21)2-12-19/h1-12,22H
InChIKeyKRGBGRZINSDXLF-UHFFFAOYSA-N
XLogP4.80
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
argon;4-(4-chlorophenoxy)benzonitrile
CID 158538207
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166182205
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703
N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide
CID 129257793
4-cyano-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813559
2-amino-5-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]benzoic acid
CID 67043907
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide (CID 3735130) is N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide?
The InChIKey is KRGBGRZINSDXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3S/c20-15-3-7-17(8-4-15)25-18-9-5-16(6-10-18)22-26(23,24)19-11-1-14(13-21)2-12-19/h1-12,22H.
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide?
N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide has a molecular weight of 384.84 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide is sourced from PubChem (CID 3735130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).