N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide

C13H17NO3S — CID 55232619

IUPACN-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccccc1C#CCO
InChIInChI=1S/C13H17NO3S/c1-13(2,3)18(16,17)14-12-9-5-4-7-11(12)8-6-10-15/h4-5,7,9,14-15H,10H2,1-3H3
InChIKeyWULOWAKWBYQSHH-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.57
Rot. Bonds2

About N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide

N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide (PubChem CID 55232619) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide
PubChem CID55232619
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccccc1C#CCO
InChIInChI=1S/C13H17NO3S/c1-13(2,3)18(16,17)14-12-9-5-4-7-11(12)8-6-10-15/h4-5,7,9,14-15H,10H2,1-3H3
InChIKeyWULOWAKWBYQSHH-UHFFFAOYSA-N
XLogP1.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide
CID 55232817
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzenesulfonamide
CID 60813404
methyl 2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfamoyl]propanoate
CID 61458959
3-[2-(2-methylpropylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114816371
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803097
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylpropane-2-sulfonamide
CID 63687336
4,4,4-trifluoro-N-[2-(3-hydroxyprop-1-ynyl)phenyl]butane-1-sulfonamide
CID 83048442
5-ethyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-sulfonamide
CID 61454327
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide
CID 60814918
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
N-(2,2-dimethylpropyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 61168671

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide (CID 55232619) is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)Nc1ccccc1C#CCO.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide?
The InChIKey is WULOWAKWBYQSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-13(2,3)18(16,17)14-12-9-5-4-7-11(12)8-6-10-15/h4-5,7,9,14-15H,10H2,1-3H3.
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide?
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 55232619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).