(2R)-2-[3-aminopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide

C13H20FN3O4S — CID 122196499

IUPAC(2R)-2-[3-aminopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCc1cc(S(=O)(=O)N(CCCN)[C@H](C)C(=O)NO)ccc1F
InChIInChI=1S/C13H20FN3O4S/c1-9-8-11(4-5-12(9)14)22(20,21)17(7-3-6-15)10(2)13(18)16-19/h4-5,8,10,19H,3,6-7,15H2,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyVYBYDPHFTQUSHN-SNVBAGLBSA-N
MW333.38 g/mol
LogP0.37
Rot. Bonds7

About (2R)-2-[3-aminopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide

(2R)-2-[3-aminopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide (PubChem CID 122196499) has the molecular formula C13H20FN3O4S and a molecular weight of 333.38 g/mol. Its IUPAC name is (2R)-2-[3-aminopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-[3-aminopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
PubChem CID122196499
Molecular FormulaC13H20FN3O4S
Molecular Weight333.38 g/mol
Exact Mass333.12
IUPAC Name(2R)-2-[3-aminopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCc1cc(S(=O)(=O)N(CCCN)[C@H](C)C(=O)NO)ccc1F
InChIInChI=1S/C13H20FN3O4S/c1-9-8-11(4-5-12(9)14)22(20,21)17(7-3-6-15)10(2)13(18)16-19/h4-5,8,10,19H,3,6-7,15H2,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyVYBYDPHFTQUSHN-SNVBAGLBSA-N
XLogP0.37
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(2R)-2-[6-aminohexyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide;hydrochloride
CID 122196492
[4-[[(4-fluoro-3-methylphenyl)sulfonyl-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]amino]methyl]phenyl]methylazanium
CID 117072122
(2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
CID 122196501
(2R)-2-[(7-aminonaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxypropanamide
CID 143926014
N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 119992136
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-hydroxypropanamide
CID 23645796
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide
CID 10247434
3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide
CID 78416953
N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-(1-methylcyclopropyl)propanamide
CID 10404368
(2R)-2-[2-aminoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 144510795
3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
CID 92695169

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-aminopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of (2R)-2-[3-aminopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide (CID 122196499) is (2R)-2-[3-aminopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for (2R)-2-[3-aminopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for (2R)-2-[3-aminopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide is Cc1cc(S(=O)(=O)N(CCCN)[C@H](C)C(=O)NO)ccc1F.
What is the InChIKey of (2R)-2-[3-aminopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The InChIKey is VYBYDPHFTQUSHN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20FN3O4S/c1-9-8-11(4-5-12(9)14)22(20,21)17(7-3-6-15)10(2)13(18)16-19/h4-5,8,10,19H,3,6-7,15H2,1-2H3,(H,16,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[3-aminopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
(2R)-2-[3-aminopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide has a molecular weight of 333.38 g/mol, XLogP of 0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-aminopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 122196499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).