(2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide

C23H22Cl2N2O4S — CID 28567094

IUPAC(2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)c1C
InChIInChI=1S/C23H22Cl2N2O4S/c1-14-6-4-9-21(15(14)2)31-16(3)23(28)26-17-10-12-18(13-11-17)32(29,30)27-20-8-5-7-19(24)22(20)25/h4-13,16,27H,1-3H3,(H,26,28)/t16-/m0/s1
InChIKeyVBSPLJNNAOTFKW-INIZCTEOSA-N
MW493.41 g/mol
LogP5.82
Rot. Bonds7

About (2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide

(2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 28567094) has the molecular formula C23H22Cl2N2O4S and a molecular weight of 493.41 g/mol. Its IUPAC name is (2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
PubChem CID28567094
Molecular FormulaC23H22Cl2N2O4S
Molecular Weight493.41 g/mol
Exact Mass492.07
IUPAC Name(2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)c1C
InChIInChI=1S/C23H22Cl2N2O4S/c1-14-6-4-9-21(15(14)2)31-16(3)23(28)26-17-10-12-18(13-11-17)32(29,30)27-20-8-5-7-19(24)22(20)25/h4-13,16,27H,1-3H3,(H,26,28)/t16-/m0/s1
InChIKeyVBSPLJNNAOTFKW-INIZCTEOSA-N
XLogP5.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.41
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 94016579
(2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 28566914
(2R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 30397776
(2S)-2-(3-chlorophenoxy)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]propanamide
CID 94016242
(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
2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 132673275
(2S)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 92673273
2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide
CID 43885380
(2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 38018180
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43907240

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide (CID 28567094) is (2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide is Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)c1C.
What is the InChIKey of (2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide?
The InChIKey is VBSPLJNNAOTFKW-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22Cl2N2O4S/c1-14-6-4-9-21(15(14)2)31-16(3)23(28)26-17-10-12-18(13-11-17)32(29,30)27-20-8-5-7-19(24)22(20)25/h4-13,16,27H,1-3H3,(H,26,28)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide?
(2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide has a molecular weight of 493.41 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 28567094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).