N-(3-hydroxypropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide

C13H19NO3S — CID 86173844

IUPACN-(3-hydroxypropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CCCO)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H19NO3S/c1-3-9-14(10-4-11-15)18(16,17)13-7-5-12(2)6-8-13/h3,5-8,15H,1,4,9-11H2,2H3
InChIKeyNTIFPNZUEVUDPO-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.55
Rot. Bonds7

About N-(3-hydroxypropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide

N-(3-hydroxypropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 86173844) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID86173844
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(3-hydroxypropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CCCO)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H19NO3S/c1-3-9-14(10-4-11-15)18(16,17)13-7-5-12(2)6-8-13/h3,5-8,15H,1,4,9-11H2,2H3
InChIKeyNTIFPNZUEVUDPO-UHFFFAOYSA-N
XLogP1.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide (CID 86173844) is N-(3-hydroxypropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide is C=CCN(CCCO)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is NTIFPNZUEVUDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-9-14(10-4-11-15)18(16,17)13-7-5-12(2)6-8-13/h3,5-8,15H,1,4,9-11H2,2H3.
What are the key properties of N-(3-hydroxypropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide?
N-(3-hydroxypropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 86173844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).