(2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide

C21H20ClN3O4S — CID 93486859

IUPAC(2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C21H20ClN3O4S/c1-2-20(29-18-7-3-5-15(22)13-18)21(26)24-16-8-10-19(11-9-16)30(27,28)25-17-6-4-12-23-14-17/h3-14,20,25H,2H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyHSGBKNKFNQWJKG-FQEVSTJZSA-N
MW445.93 g/mol
LogP4.33
Rot. Bonds8

About (2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide

(2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide (PubChem CID 93486859) has the molecular formula C21H20ClN3O4S and a molecular weight of 445.93 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
PubChem CID93486859
Molecular FormulaC21H20ClN3O4S
Molecular Weight445.93 g/mol
Exact Mass445.09
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C21H20ClN3O4S/c1-2-20(29-18-7-3-5-15(22)13-18)21(26)24-16-8-10-19(11-9-16)30(27,28)25-17-6-4-12-23-14-17/h3-14,20,25H,2H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyHSGBKNKFNQWJKG-FQEVSTJZSA-N
XLogP4.33
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 38005943
2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 43916258
(2R)-2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 38005936
(2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
CID 92677148
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 94015658
2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 43908669
(2R)-2-(2,3-dimethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 99950023
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 94016432
2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
CID 17106640
2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 4928389
(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide
CID 92681679
N-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxybutanamide
CID 132672040

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide (CID 93486859) is (2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide is CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide?
The InChIKey is HSGBKNKFNQWJKG-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20ClN3O4S/c1-2-20(29-18-7-3-5-15(22)13-18)21(26)24-16-8-10-19(11-9-16)30(27,28)25-17-6-4-12-23-14-17/h3-14,20,25H,2H2,1H3,(H,24,26)/t20-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide?
(2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide has a molecular weight of 445.93 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 93486859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).