3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide

C15H17N3O4S — CID 58835331

IUPAC3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide
SMILESNCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C15H17N3O4S/c16-10-14(15(19)17-20)18-23(21,22)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,18,20H,10,16H2,(H,17,19)
InChIKeyXIKWROYUODUUAC-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.46
Rot. Bonds6

About 3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide

3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide (PubChem CID 58835331) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide
PubChem CID58835331
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide
SMILESNCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C15H17N3O4S/c16-10-14(15(19)17-20)18-23(21,22)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,18,20H,10,16H2,(H,17,19)
InChIKeyXIKWROYUODUUAC-UHFFFAOYSA-N
XLogP0.46
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.46
H-Bond Donors ≤ 54
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

4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid
CID 58279902
methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 3776760
(2S)-3-amino-N-hydroxy-2-[(4-phenylphenyl)methylamino]propanamide
CID 59697068
3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 18328781
ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride
CID 18664309
methyl 2-[(4-phenylphenyl)sulfonylamino]pent-4-enoate
CID 23508264
tert-butyl 4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoate
CID 75113060
methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 87040440
N-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide
CID 11467131
(2R)-3-methyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]butanoic acid
CID 71347191
2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 145138135
(2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride
CID 70154426

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide?
The IUPAC name of 3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide (CID 58835331) is 3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for 3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide?
The canonical SMILES for 3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide is NCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of 3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide?
The InChIKey is XIKWROYUODUUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c16-10-14(15(19)17-20)18-23(21,22)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,18,20H,10,16H2,(H,17,19).
What are the key properties of 3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide?
3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide has a molecular weight of 335.39 g/mol, XLogP of 0.46, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 58835331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).