2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfonamido}-N-hydroxyacetamide

C16H17ClN2O5S — CID 9843079

IUPAC2-[(4-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)CC(=O)NO
InChIInChI=1S/C16H17ClN2O5S/c1-24-14-6-8-15(9-7-14)25(22,23)19(11-16(20)18-21)10-12-2-4-13(17)5-3-12/h2-9,21H,10-11H2,1H3,(H,18,20)
InChIKeyHBPRCALADDGDIK-UHFFFAOYSA-N
MW384.80 g/mol
LogP2.00
Rot. Bonds7

About 2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfonamido}-N-hydroxyacetamide

2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfonamido}-N-hydroxyacetamide (PubChem CID 9843079) has the molecular formula C16H17ClN2O5S and a molecular weight of 384.80 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfonamido}-N-hydroxyacetamide
PubChem CID9843079
Molecular FormulaC16H17ClN2O5S
Molecular Weight384.80 g/mol
Exact Mass384.05
IUPAC Name2-[(4-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)CC(=O)NO
InChIInChI=1S/C16H17ClN2O5S/c1-24-14-6-8-15(9-7-14)25(22,23)19(11-16(20)18-21)10-12-2-4-13(17)5-3-12/h2-9,21H,10-11H2,1H3,(H,18,20)
InChIKeyHBPRCALADDGDIK-UHFFFAOYSA-N
XLogP2.00
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity523

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(R)-2-(N-Benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-3-methylbutanamide
CID 9821883
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-2-phenylacetamide
CID 10502537
MMP-3 Inhibitor VIII
CID 10549329
N-hydroxy-2-[(4-methoxybenzene)(2-phenylethyl)sulfonamido]acetamide
CID 10570770
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxypropanamide
CID 10594938
2-[(cyclohexylmethyl)(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
CID 10618255
2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-3,3-dimethylbutanamide
CID 10621353
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4,4-dimethylpentanamide
CID 10645799
N-hydroxy-2-[[4-methoxybenzenesulfonyl](4-methoxybenzyl)amino]acetamide
CID 10691191
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4-(methylsulfanyl)butanamide
CID 10693625
N-hydroxy-2-[(4-methoxybenzene)[(3-methoxyphenyl)methyl]sulfonamido]acetamide
CID 10714796
N-hydroxy-2-[(4-methoxybenzene)(3-phenylpropyl)sulfonamido]acetamide
CID 10738429

Frequently Asked Questions

What is the IUPAC name of 2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfonamido}-N-hydroxyacetamide?
The IUPAC name of 2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfonamido}-N-hydroxyacetamide (CID 9843079) is 2-[(4-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfonamido}-N-hydroxyacetamide?
The canonical SMILES for 2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfonamido}-N-hydroxyacetamide is COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)CC(=O)NO.
What is the InChIKey of 2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfonamido}-N-hydroxyacetamide?
The InChIKey is HBPRCALADDGDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O5S/c1-24-14-6-8-15(9-7-14)25(22,23)19(11-16(20)18-21)10-12-2-4-13(17)5-3-12/h2-9,21H,10-11H2,1H3,(H,18,20).
What are the key properties of 2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfonamido}-N-hydroxyacetamide?
2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfonamido}-N-hydroxyacetamide has a molecular weight of 384.80 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-{[(4-chlorophenyl)methyl](4-methoxybenzene)sulfonamido}-N-hydroxyacetamide is sourced from PubChem (CID 9843079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).