N-(4-hydroxyphenyl)-N-methylhexane-1-sulfonamide

C13H21NO3S — CID 18515565

IUPACN-(4-hydroxyphenyl)-N-methylhexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C13H21NO3S/c1-3-4-5-6-11-18(16,17)14(2)12-7-9-13(15)10-8-12/h7-10,15H,3-6,11H2,1-2H3
InChIKeyYKMMCBDLKWDZDH-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.74
Rot. Bonds7

About N-(4-hydroxyphenyl)-N-methylhexane-1-sulfonamide

N-(4-hydroxyphenyl)-N-methylhexane-1-sulfonamide (PubChem CID 18515565) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N-methylhexane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N-methylhexane-1-sulfonamide
PubChem CID18515565
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(4-hydroxyphenyl)-N-methylhexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C13H21NO3S/c1-3-4-5-6-11-18(16,17)14(2)12-7-9-13(15)10-8-12/h7-10,15H,3-6,11H2,1-2H3
InChIKeyYKMMCBDLKWDZDH-UHFFFAOYSA-N
XLogP2.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N-methylhexane-1-sulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-N-methylhexane-1-sulfonamide (CID 18515565) is N-(4-hydroxyphenyl)-N-methylhexane-1-sulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N-methylhexane-1-sulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N-methylhexane-1-sulfonamide is CCCCCCS(=O)(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-N-methylhexane-1-sulfonamide?
The InChIKey is YKMMCBDLKWDZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-3-4-5-6-11-18(16,17)14(2)12-7-9-13(15)10-8-12/h7-10,15H,3-6,11H2,1-2H3.
What are the key properties of N-(4-hydroxyphenyl)-N-methylhexane-1-sulfonamide?
N-(4-hydroxyphenyl)-N-methylhexane-1-sulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N-methylhexane-1-sulfonamide is sourced from PubChem (CID 18515565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).