N-(4-tert-butylphenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanamide

C20H24Cl2N2O4S — CID 42924513

IUPACN-(4-tert-butylphenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanamide
SMILESCC(O)C(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24Cl2N2O4S/c1-12(25)18(24-29(27,28)15-9-10-16(21)17(22)11-15)19(26)23-14-7-5-13(6-8-14)20(2,3)4/h5-12,18,24-25H,1-4H3,(H,23,26)
InChIKeyWZJINXGDXWAEBK-UHFFFAOYSA-N
MW459.40 g/mol
LogP3.96
Rot. Bonds6

About N-(4-tert-butylphenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanamide

N-(4-tert-butylphenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanamide (PubChem CID 42924513) has the molecular formula C20H24Cl2N2O4S and a molecular weight of 459.40 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanamide
PubChem CID42924513
Molecular FormulaC20H24Cl2N2O4S
Molecular Weight459.40 g/mol
Exact Mass458.08
IUPAC NameN-(4-tert-butylphenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanamide
SMILESCC(O)C(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24Cl2N2O4S/c1-12(25)18(24-29(27,28)15-9-10-16(21)17(22)11-15)19(26)23-14-7-5-13(6-8-14)20(2,3)4/h5-12,18,24-25H,1-4H3,(H,23,26)
InChIKeyWZJINXGDXWAEBK-UHFFFAOYSA-N
XLogP3.96
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.40
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 34756542
N-[4-[1-(3,4-dichlorophenyl)ethylsulfamoyl]phenyl]acetamide
CID 42999054
(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate
CID 2325636
(2S,3R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 93302578
(2R)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 2451311
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 4843405
N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
CID 112997620
3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502121
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 24527190
3-[[(1R,2S)-1-carboxy-2-hydroxypropyl]sulfamoyl]-4-chlorobenzoic acid
CID 7745996
methyl 4-[[(2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoyl]amino]benzoate
CID 9068813
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 42898664

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanamide (CID 42924513) is N-(4-tert-butylphenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanamide is CC(O)C(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanamide?
The InChIKey is WZJINXGDXWAEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O4S/c1-12(25)18(24-29(27,28)15-9-10-16(21)17(22)11-15)19(26)23-14-7-5-13(6-8-14)20(2,3)4/h5-12,18,24-25H,1-4H3,(H,23,26).
What are the key properties of N-(4-tert-butylphenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanamide?
N-(4-tert-butylphenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanamide has a molecular weight of 459.40 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanamide is sourced from PubChem (CID 42924513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).