4-(3-chloro-2-cyanophenoxy)-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide

C19H21ClN2O3S — CID 2806075

IUPAC4-(3-chloro-2-cyanophenoxy)-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1)C(C)(C)C
InChIInChI=1S/C19H21ClN2O3S/c1-13(19(2,3)4)22-26(23,24)15-10-8-14(9-11-15)25-18-7-5-6-17(20)16(18)12-21/h5-11,13,22H,1-4H3
InChIKeyMVHCLPLONZGZKJ-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.72
Rot. Bonds5

About 4-(3-chloro-2-cyanophenoxy)-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide

4-(3-chloro-2-cyanophenoxy)-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide (PubChem CID 2806075) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-(3-chloro-2-cyanophenoxy)-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-chloro-2-cyanophenoxy)-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
PubChem CID2806075
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-(3-chloro-2-cyanophenoxy)-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1)C(C)(C)C
InChIInChI=1S/C19H21ClN2O3S/c1-13(19(2,3)4)22-26(23,24)15-10-8-14(9-11-15)25-18-7-5-6-17(20)16(18)12-21/h5-11,13,22H,1-4H3
InChIKeyMVHCLPLONZGZKJ-UHFFFAOYSA-N
XLogP4.72
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-cyanophenoxy)-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(3-chloro-2-cyanophenoxy)-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide (CID 2806075) is 4-(3-chloro-2-cyanophenoxy)-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-chloro-2-cyanophenoxy)-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-chloro-2-cyanophenoxy)-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1)C(C)(C)C.
What is the InChIKey of 4-(3-chloro-2-cyanophenoxy)-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide?
The InChIKey is MVHCLPLONZGZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-13(19(2,3)4)22-26(23,24)15-10-8-14(9-11-15)25-18-7-5-6-17(20)16(18)12-21/h5-11,13,22H,1-4H3.
What are the key properties of 4-(3-chloro-2-cyanophenoxy)-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide?
4-(3-chloro-2-cyanophenoxy)-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide has a molecular weight of 392.91 g/mol, XLogP of 4.72, 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-(3,3-dimethylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 2806075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).