2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide

C22H21ClN2O4S — CID 132673275

IUPAC2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-15-7-9-18(10-8-15)25-30(27,28)19-13-11-17(12-14-19)24-22(26)16(2)29-21-6-4-3-5-20(21)23/h3-14,16,25H,1-2H3,(H,24,26)
InChIKeySBMQIWFVGBVTEJ-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.86
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide

2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 132673275) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
PubChem CID132673275
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-15-7-9-18(10-8-15)25-30(27,28)19-13-11-17(12-14-19)24-22(26)16(2)29-21-6-4-3-5-20(21)23/h3-14,16,25H,1-2H3,(H,24,26)
InChIKeySBMQIWFVGBVTEJ-UHFFFAOYSA-N
XLogP4.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-chlorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7816091
(2S)-2-(2-chlorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7816093
(2R)-2-(4-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41269416
(2R)-2-(2-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2168216
N-[4-(phenylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43915337
(2S)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)propanamide
CID 29418557
(2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 28566914
(2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 28567094
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide
CID 92646395
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 17069700
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide
CID 43915601

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide (CID 132673275) is 2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccccc3Cl)cc2)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is SBMQIWFVGBVTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-15-7-9-18(10-8-15)25-30(27,28)19-13-11-17(12-14-19)24-22(26)16(2)29-21-6-4-3-5-20(21)23/h3-14,16,25H,1-2H3,(H,24,26).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide?
2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 444.94 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 132673275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).