6-(benzenesulfonamido)-N-hydroxyhexanamide

C12H18N2O4S — CID 11601667

IUPAC6-(benzenesulfonamido)-N-hydroxyhexanamide
SMILESO=C(CCCCCNS(=O)(=O)c1ccccc1)NO
InChIInChI=1S/C12H18N2O4S/c15-12(14-16)9-5-2-6-10-13-19(17,18)11-7-3-1-4-8-11/h1,3-4,7-8,13,16H,2,5-6,9-10H2,(H,14,15)
InChIKeyGJDWROKSGLQTPW-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.03
Rot. Bonds8

About 6-(benzenesulfonamido)-N-hydroxyhexanamide

6-(benzenesulfonamido)-N-hydroxyhexanamide (PubChem CID 11601667) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 6-(benzenesulfonamido)-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-(benzenesulfonamido)-N-hydroxyhexanamide
PubChem CID11601667
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name6-(benzenesulfonamido)-N-hydroxyhexanamide
SMILESO=C(CCCCCNS(=O)(=O)c1ccccc1)NO
InChIInChI=1S/C12H18N2O4S/c15-12(14-16)9-5-2-6-10-13-19(17,18)11-7-3-1-4-8-11/h1,3-4,7-8,13,16H,2,5-6,9-10H2,(H,14,15)
InChIKeyGJDWROKSGLQTPW-UHFFFAOYSA-N
XLogP1.03
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide
CID 10810370
methyl 7-(benzenesulfonamido)heptanoate
CID 31847638
7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide
CID 4178016
N-tridecylbenzenesulfonamide
CID 3514704
(Z)-9-(benzenesulfonamido)non-5-enoic acid
CID 15052909
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide
CID 70623191
N-[5-(benzenesulfonamido)pentyl]-2-methylsulfanylacetamide;N-[5-(benzenesulfonamido)pentyl]propanamide
CID 143199126
6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide
CID 4569214
N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704245
7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide
CID 3690697

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonamido)-N-hydroxyhexanamide?
The IUPAC name of 6-(benzenesulfonamido)-N-hydroxyhexanamide (CID 11601667) is 6-(benzenesulfonamido)-N-hydroxyhexanamide.
What is the SMILES notation for 6-(benzenesulfonamido)-N-hydroxyhexanamide?
The canonical SMILES for 6-(benzenesulfonamido)-N-hydroxyhexanamide is O=C(CCCCCNS(=O)(=O)c1ccccc1)NO.
What is the InChIKey of 6-(benzenesulfonamido)-N-hydroxyhexanamide?
The InChIKey is GJDWROKSGLQTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c15-12(14-16)9-5-2-6-10-13-19(17,18)11-7-3-1-4-8-11/h1,3-4,7-8,13,16H,2,5-6,9-10H2,(H,14,15).
What are the key properties of 6-(benzenesulfonamido)-N-hydroxyhexanamide?
6-(benzenesulfonamido)-N-hydroxyhexanamide has a molecular weight of 286.35 g/mol, XLogP of 1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonamido)-N-hydroxyhexanamide is sourced from PubChem (CID 11601667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).