(2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide

C22H20Cl2N2O4S — CID 92678428

IUPAC(2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C22H20Cl2N2O4S/c1-2-20(30-21-10-6-4-8-18(21)24)22(27)25-15-11-13-16(14-12-15)31(28,29)26-19-9-5-3-7-17(19)23/h3-14,20,26H,2H2,1H3,(H,25,27)/t20-/m0/s1
InChIKeyLGCKSTMRORWECK-FQEVSTJZSA-N
MW479.39 g/mol
LogP5.59
Rot. Bonds8

About (2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide

(2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide (PubChem CID 92678428) has the molecular formula C22H20Cl2N2O4S and a molecular weight of 479.39 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide
PubChem CID92678428
Molecular FormulaC22H20Cl2N2O4S
Molecular Weight479.39 g/mol
Exact Mass478.05
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C22H20Cl2N2O4S/c1-2-20(30-21-10-6-4-8-18(21)24)22(27)25-15-11-13-16(14-12-15)31(28,29)26-19-9-5-3-7-17(19)23/h3-14,20,26H,2H2,1H3,(H,25,27)/t20-/m0/s1
InChIKeyLGCKSTMRORWECK-FQEVSTJZSA-N
XLogP5.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.39
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide
CID 28631697
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 93488130
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-chlorophenoxy)butanamide
CID 43885116
(2S)-2-(2-chlorophenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]butanamide
CID 28635319
2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide
CID 43885380
(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 94027219
2-(2-chlorophenoxy)-N-(4-methoxyphenyl)butanamide
CID 43915879
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide
CID 46771281
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 43907526
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43910321
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 94864467
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43907240

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide (CID 92678428) is (2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide is CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide?
The InChIKey is LGCKSTMRORWECK-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4S/c1-2-20(30-21-10-6-4-8-18(21)24)22(27)25-15-11-13-16(14-12-15)31(28,29)26-19-9-5-3-7-17(19)23/h3-14,20,26H,2H2,1H3,(H,25,27)/t20-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide?
(2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide has a molecular weight of 479.39 g/mol, XLogP of 5.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 92678428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).