4-(3-chloro-2-cyanophenoxy)-N-phenylbenzenesulfonamide

C19H13ClN2O3S — CID 2804738

IUPAC4-(3-chloro-2-cyanophenoxy)-N-phenylbenzenesulfonamide
SMILESN#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H13ClN2O3S/c20-18-7-4-8-19(17(18)13-21)25-15-9-11-16(12-10-15)26(23,24)22-14-5-2-1-3-6-14/h1-12,22H
InChIKeyNJMQRYZYLYGOAP-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.80
Rot. Bonds5

About 4-(3-chloro-2-cyanophenoxy)-N-phenylbenzenesulfonamide

4-(3-chloro-2-cyanophenoxy)-N-phenylbenzenesulfonamide (PubChem CID 2804738) has the molecular formula C19H13ClN2O3S and a molecular weight of 384.84 g/mol. Its IUPAC name is 4-(3-chloro-2-cyanophenoxy)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-chloro-2-cyanophenoxy)-N-phenylbenzenesulfonamide
PubChem CID2804738
Molecular FormulaC19H13ClN2O3S
Molecular Weight384.84 g/mol
Exact Mass384.03
IUPAC Name4-(3-chloro-2-cyanophenoxy)-N-phenylbenzenesulfonamide
SMILESN#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H13ClN2O3S/c20-18-7-4-8-19(17(18)13-21)25-15-9-11-16(12-10-15)26(23,24)22-14-5-2-1-3-6-14/h1-12,22H
InChIKeyNJMQRYZYLYGOAP-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

Benzenesulfonamide, 4-(2,6-dicyanophenoxy)-N-phenyl-
CID 2805895
Lp-PLA2-IN-3
CID 132427687
N-benzyl-4-(3-chloro-2-cyanophenoxy)-N-methylbenzenesulfonamide
CID 2804743
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
3-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 45369230
N-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-cyanophenyl]benzenesulfonamide
CID 137654141
N-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-cyanophenyl]-4-methylbenzenesulfonamide
CID 137655982
4-(2,6-dicyanophenoxy)-N-(4-methoxyphenyl)benzenesulfonamide
CID 2805885
3-cyano-N-phenyl-4-(2-phenylphenoxy)benzenesulfonamide
CID 68657852
N-[4-(benzyloxy)phenyl]-4-chlorobenzenesulfonamide
CID 985369
N-(4-chlorophenyl)-4-(2,6-dicyanophenoxy)benzenesulfonamide
CID 2805884
N-(3-chloro-4-cyanophenyl)-2-methoxybenzenesulfonamide
CID 129402246

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-cyanophenoxy)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(3-chloro-2-cyanophenoxy)-N-phenylbenzenesulfonamide (CID 2804738) is 4-(3-chloro-2-cyanophenoxy)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(3-chloro-2-cyanophenoxy)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(3-chloro-2-cyanophenoxy)-N-phenylbenzenesulfonamide is N#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(3-chloro-2-cyanophenoxy)-N-phenylbenzenesulfonamide?
The InChIKey is NJMQRYZYLYGOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3S/c20-18-7-4-8-19(17(18)13-21)25-15-9-11-16(12-10-15)26(23,24)22-14-5-2-1-3-6-14/h1-12,22H.
What are the key properties of 4-(3-chloro-2-cyanophenoxy)-N-phenylbenzenesulfonamide?
4-(3-chloro-2-cyanophenoxy)-N-phenylbenzenesulfonamide 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 4-(3-chloro-2-cyanophenoxy)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2804738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).