(2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide

C18H20Cl2N2O4S — CID 10598780

IUPAC(2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@@H](C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H20Cl2N2O4S/c1-12(2)17(18(23)21-24)22(11-13-6-4-3-5-7-13)27(25,26)16-10-14(19)8-9-15(16)20/h3-10,12,17,24H,11H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeySNQNALAVHNVVAH-KRWDZBQOSA-N
MW431.34 g/mol
LogP3.71
Rot. Bonds7

About (2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide

(2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide (PubChem CID 10598780) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is (2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
PubChem CID10598780
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC Name(2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@@H](C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H20Cl2N2O4S/c1-12(2)17(18(23)21-24)22(11-13-6-4-3-5-7-13)27(25,26)16-10-14(19)8-9-15(16)20/h3-10,12,17,24H,11H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeySNQNALAVHNVVAH-KRWDZBQOSA-N
XLogP3.71
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 74080477
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40976060
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 126392917
(2S)-N-hydroxy-3-methyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]butanamide
CID 100984443
methyl 3-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]-4-chlorobenzoate
CID 35299124
N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide
CID 126012482
2-(N-(2,5-dichlorophenyl)sulfonylanilino)propanoyl chloride
CID 50889608
N-benzyl-2-[butan-2-yl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3542326
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 988036
(2S)-2-[benzyl(naphthalen-1-ylsulfonyl)amino]-3-methylbutanoic acid
CID 10810829
(2S)-2-[benzyl-(2-nitrophenyl)sulfonylamino]-3-methylbutanoic acid
CID 10500709
2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid
CID 50894753

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide (CID 10598780) is (2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide is CC(C)[C@@H](C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The InChIKey is SNQNALAVHNVVAH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c1-12(2)17(18(23)21-24)22(11-13-6-4-3-5-7-13)27(25,26)16-10-14(19)8-9-15(16)20/h3-10,12,17,24H,11H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
(2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide has a molecular weight of 431.34 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 10598780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).