2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide

C17H17N3O4S — CID 18979112

IUPAC2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide
SMILESO=C(NO)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17N3O4S/c21-17(19-22)16(20-25(23,24)13-6-2-1-3-7-13)10-12-11-18-15-9-5-4-8-14(12)15/h1-9,11,16,18,20,22H,10H2,(H,19,21)
InChIKeyAHICOLLZIQWZRT-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.56
Rot. Bonds6

About 2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide

2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide (PubChem CID 18979112) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide
PubChem CID18979112
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide
SMILESO=C(NO)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17N3O4S/c21-17(19-22)16(20-25(23,24)13-6-2-1-3-7-13)10-12-11-18-15-9-5-4-8-14(12)15/h1-9,11,16,18,20,22H,10H2,(H,19,21)
InChIKeyAHICOLLZIQWZRT-UHFFFAOYSA-N
XLogP1.56
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.56
H-Bond Donors ≤ 54
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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Related Compounds

(2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide
CID 10173762
N-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide
CID 11467131
(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
CID 2211096
3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
CID 5144045
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
CID 983564
(2S)-2-(benzenesulfonamido)-3-(1H-indol-3-yl)propanoic acid;2-phenylbenzamide
CID 22876307
N-[(2S)-1-(2,2-dimethylhydrazinyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methylbenzenesulfonamide
CID 9180260
(2R)-3-(hydroxyamino)-2-(1H-indol-3-ylmethyl)-3-oxopropanoic acid
CID 21014124
(2R)-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanoate
CID 24916932
(2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanoate
CID 2564289
N-(4-chloropentyl)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 155169179
(2S)-3-(1H-indol-3-yl)-2-[(4-methylnaphthalen-1-yl)sulfonylamino]propanoic acid
CID 42080951

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide (CID 18979112) is 2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide is O=C(NO)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide?
The InChIKey is AHICOLLZIQWZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c21-17(19-22)16(20-25(23,24)13-6-2-1-3-7-13)10-12-11-18-15-9-5-4-8-14(12)15/h1-9,11,16,18,20,22H,10H2,(H,19,21).
What are the key properties of 2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide?
2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide has a molecular weight of 359.41 g/mol, XLogP of 1.56, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 18979112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).