(3S)-3-[(2-aminophenyl)sulfonylamino]-N-hydroxyheptanamide

C13H21N3O4S — CID 131857615

IUPAC(3S)-3-[(2-aminophenyl)sulfonylamino]-N-hydroxyheptanamide
SMILESCCCC[C@@H](CC(=O)NO)NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C13H21N3O4S/c1-2-3-6-10(9-13(17)15-18)16-21(19,20)12-8-5-4-7-11(12)14/h4-5,7-8,10,16,18H,2-3,6,9,14H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyUJIWSVGUSZCWHD-JTQLQIEISA-N
MW315.39 g/mol
LogP1.00
Rot. Bonds8

About (3S)-3-[(2-aminophenyl)sulfonylamino]-N-hydroxyheptanamide

(3S)-3-[(2-aminophenyl)sulfonylamino]-N-hydroxyheptanamide (PubChem CID 131857615) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is (3S)-3-[(2-aminophenyl)sulfonylamino]-N-hydroxyheptanamide.

Molecular Properties

Compound Name(3S)-3-[(2-aminophenyl)sulfonylamino]-N-hydroxyheptanamide
PubChem CID131857615
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name(3S)-3-[(2-aminophenyl)sulfonylamino]-N-hydroxyheptanamide
SMILESCCCC[C@@H](CC(=O)NO)NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C13H21N3O4S/c1-2-3-6-10(9-13(17)15-18)16-21(19,20)12-8-5-4-7-11(12)14/h4-5,7-8,10,16,18H,2-3,6,9,14H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyUJIWSVGUSZCWHD-JTQLQIEISA-N
XLogP1.00
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2-bromo-N-octan-4-ylbenzenesulfonamide
CID 106025735
2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994606
3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide
CID 55050396
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79248106
2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide
CID 113375971
3-amino-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 62118151
N-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 120712550
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
3-(aminomethyl)-2-methyl-N-octan-4-ylbenzenesulfonamide
CID 106094704
3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide
CID 29302571
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide
CID 106024236

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-aminophenyl)sulfonylamino]-N-hydroxyheptanamide?
The IUPAC name of (3S)-3-[(2-aminophenyl)sulfonylamino]-N-hydroxyheptanamide (CID 131857615) is (3S)-3-[(2-aminophenyl)sulfonylamino]-N-hydroxyheptanamide.
What is the SMILES notation for (3S)-3-[(2-aminophenyl)sulfonylamino]-N-hydroxyheptanamide?
The canonical SMILES for (3S)-3-[(2-aminophenyl)sulfonylamino]-N-hydroxyheptanamide is CCCC[C@@H](CC(=O)NO)NS(=O)(=O)c1ccccc1N.
What is the InChIKey of (3S)-3-[(2-aminophenyl)sulfonylamino]-N-hydroxyheptanamide?
The InChIKey is UJIWSVGUSZCWHD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-2-3-6-10(9-13(17)15-18)16-21(19,20)12-8-5-4-7-11(12)14/h4-5,7-8,10,16,18H,2-3,6,9,14H2,1H3,(H,15,17)/t10-/m0/s1.
What are the key properties of (3S)-3-[(2-aminophenyl)sulfonylamino]-N-hydroxyheptanamide?
(3S)-3-[(2-aminophenyl)sulfonylamino]-N-hydroxyheptanamide has a molecular weight of 315.39 g/mol, XLogP of 1.00, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-aminophenyl)sulfonylamino]-N-hydroxyheptanamide is sourced from PubChem (CID 131857615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).