2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide

C16H17ClN2O4S — CID 23645793

IUPAC2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17ClN2O4S/c1-12(16(20)18-21)19(11-13-7-5-6-10-15(13)17)24(22,23)14-8-3-2-4-9-14/h2-10,12,21H,11H2,1H3,(H,18,20)
InChIKeyMZVLMIXJVBDTOG-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.42
Rot. Bonds6

About 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide

2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide (PubChem CID 23645793) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide
PubChem CID23645793
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17ClN2O4S/c1-12(16(20)18-21)19(11-13-7-5-6-10-15(13)17)24(22,23)14-8-3-2-4-9-14/h2-10,12,21H,11H2,1H3,(H,18,20)
InChIKeyMZVLMIXJVBDTOG-UHFFFAOYSA-N
XLogP2.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.42
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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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
The IUPAC name of 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide (CID 23645793) is 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
The canonical SMILES for 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
The InChIKey is MZVLMIXJVBDTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-12(16(20)18-21)19(11-13-7-5-6-10-15(13)17)24(22,23)14-8-3-2-4-9-14/h2-10,12,21H,11H2,1H3,(H,18,20).
What are the key properties of 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide?
2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide has a molecular weight of 368.84 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-hydroxypropanamide is sourced from PubChem (CID 23645793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).