(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide

C16H15Cl3N2O4S — CID 126396716

IUPAC(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C16H15Cl3N2O4S/c1-9(16(22)20-11-4-6-14(25-2)13(19)8-11)21-26(23,24)15-7-10(17)3-5-12(15)18/h3-9,21H,1-2H3,(H,20,22)/t9-/m1/s1
InChIKeyPVSWRAZGBWIHQV-SECBINFHSA-N
MW437.73 g/mol
LogP3.96
Rot. Bonds6

About (2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide

(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide (PubChem CID 126396716) has the molecular formula C16H15Cl3N2O4S and a molecular weight of 437.73 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide
PubChem CID126396716
Molecular FormulaC16H15Cl3N2O4S
Molecular Weight437.73 g/mol
Exact Mass435.98
IUPAC Name(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C16H15Cl3N2O4S/c1-9(16(22)20-11-4-6-14(25-2)13(19)8-11)21-26(23,24)15-7-10(17)3-5-12(15)18/h3-9,21H,1-2H3,(H,20,22)/t9-/m1/s1
InChIKeyPVSWRAZGBWIHQV-SECBINFHSA-N
XLogP3.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.73
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 126394209
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 126398525
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 124551909
(2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7376444
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide
CID 24536404
methyl 5-[[(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanoyl]amino]-1-benzothiophene-2-carboxylate
CID 28549500
N-(3-chloro-4-methylphenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890617
(2R)-N-(2,5-dichlorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 124548996
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 28542728
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 28542725
2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide
CID 4320202
N-(2,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 3958242

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide (CID 126396716) is (2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide is COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl.
What is the InChIKey of (2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide?
The InChIKey is PVSWRAZGBWIHQV-SECBINFHSA-N. The full InChI is InChI=1S/C16H15Cl3N2O4S/c1-9(16(22)20-11-4-6-14(25-2)13(19)8-11)21-26(23,24)15-7-10(17)3-5-12(15)18/h3-9,21H,1-2H3,(H,20,22)/t9-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide?
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide has a molecular weight of 437.73 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 126396716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).