(2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide

C12H17ClN2O5S — CID 87400365

IUPAC(2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OCCCCl)cc1)C(=O)NO
InChIInChI=1S/C12H17ClN2O5S/c1-9(12(16)14-17)15-21(18,19)11-5-3-10(4-6-11)20-8-2-7-13/h3-6,9,15,17H,2,7-8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyQMAXOURYJUPASC-SECBINFHSA-N
MW336.80 g/mol
LogP0.87
Rot. Bonds8

About (2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide

(2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide (PubChem CID 87400365) has the molecular formula C12H17ClN2O5S and a molecular weight of 336.80 g/mol. Its IUPAC name is (2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide
PubChem CID87400365
Molecular FormulaC12H17ClN2O5S
Molecular Weight336.80 g/mol
Exact Mass336.05
IUPAC Name(2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OCCCCl)cc1)C(=O)NO
InChIInChI=1S/C12H17ClN2O5S/c1-9(12(16)14-17)15-21(18,19)11-5-3-10(4-6-11)20-8-2-7-13/h3-6,9,15,17H,2,7-8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyQMAXOURYJUPASC-SECBINFHSA-N
XLogP0.87
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide
CID 71848474
4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide
CID 97000634
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 51233702
2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 4234140
(2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide
CID 86624467
2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 5026363
(2R)-2-[[4-(2-ethoxyethoxy)phenyl]sulfonylamino]propanamide
CID 94799409
2-(4-chlorophenoxy)ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 8844031
N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3558322
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082
2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 2963977
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 55940319

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of (2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide (CID 87400365) is (2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for (2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for (2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide is C[C@@H](NS(=O)(=O)c1ccc(OCCCCl)cc1)C(=O)NO.
What is the InChIKey of (2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide?
The InChIKey is QMAXOURYJUPASC-SECBINFHSA-N. The full InChI is InChI=1S/C12H17ClN2O5S/c1-9(12(16)14-17)15-21(18,19)11-5-3-10(4-6-11)20-8-2-7-13/h3-6,9,15,17H,2,7-8H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide?
(2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide has a molecular weight of 336.80 g/mol, XLogP of 0.87, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 87400365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).