2-hydroxy-N-octan-2-ylbenzenesulfonamide

C14H23NO3S — CID 81241205

IUPAC2-hydroxy-N-octan-2-ylbenzenesulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)c1ccccc1O
InChIInChI=1S/C14H23NO3S/c1-3-4-5-6-9-12(2)15-19(17,18)14-11-8-7-10-13(14)16/h7-8,10-12,15-16H,3-6,9H2,1-2H3
InChIKeySGBXRXHJAVCCPP-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.03
Rot. Bonds8

About 2-hydroxy-N-octan-2-ylbenzenesulfonamide

2-hydroxy-N-octan-2-ylbenzenesulfonamide (PubChem CID 81241205) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-hydroxy-N-octan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-octan-2-ylbenzenesulfonamide
PubChem CID81241205
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2-hydroxy-N-octan-2-ylbenzenesulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)c1ccccc1O
InChIInChI=1S/C14H23NO3S/c1-3-4-5-6-9-12(2)15-19(17,18)14-11-8-7-10-13(14)16/h7-8,10-12,15-16H,3-6,9H2,1-2H3
InChIKeySGBXRXHJAVCCPP-UHFFFAOYSA-N
XLogP3.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methylaminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 106008883
2-nitro-N-octan-2-ylbenzenesulfonamide
CID 19684217
2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide
CID 63473663
3-amino-2,4-difluoro-N-octan-2-ylbenzenesulfonamide
CID 107343405
4-amino-N-octan-2-ylbenzenesulfonamide
CID 61476612
N-methyl-2-(octan-2-ylamino)benzenesulfonamide
CID 43749903
3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide
CID 55050396
2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide
CID 63402410
2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 3753439
4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide
CID 115944465
4-chloro-2,5-dimethyl-N-octan-2-ylbenzenesulfonamide
CID 19684239
4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 61476963

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-octan-2-ylbenzenesulfonamide?
The IUPAC name of 2-hydroxy-N-octan-2-ylbenzenesulfonamide (CID 81241205) is 2-hydroxy-N-octan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N-octan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-hydroxy-N-octan-2-ylbenzenesulfonamide is CCCCCCC(C)NS(=O)(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-octan-2-ylbenzenesulfonamide?
The InChIKey is SGBXRXHJAVCCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-4-5-6-9-12(2)15-19(17,18)14-11-8-7-10-13(14)16/h7-8,10-12,15-16H,3-6,9H2,1-2H3.
What are the key properties of 2-hydroxy-N-octan-2-ylbenzenesulfonamide?
2-hydroxy-N-octan-2-ylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-octan-2-ylbenzenesulfonamide is sourced from PubChem (CID 81241205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).