N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide

C16H19NO2S — CID 114795839

IUPACN-prop-2-enyl-N-propylnaphthalene-1-sulfonamide
SMILESC=CCN(CCC)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H19NO2S/c1-3-12-17(13-4-2)20(18,19)16-11-7-9-14-8-5-6-10-15(14)16/h3,5-11H,1,4,12-13H2,2H3
InChIKeyXAPSSGYPVNTIRP-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.43
Rot. Bonds6

About N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide

N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide (PubChem CID 114795839) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-propylnaphthalene-1-sulfonamide
PubChem CID114795839
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-prop-2-enyl-N-propylnaphthalene-1-sulfonamide
SMILESC=CCN(CCC)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H19NO2S/c1-3-12-17(13-4-2)20(18,19)16-11-7-9-14-8-5-6-10-15(14)16/h3,5-11H,1,4,12-13H2,2H3
InChIKeyXAPSSGYPVNTIRP-UHFFFAOYSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid
CID 114533570
ethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide
CID 142910503
N-butyl-N-(2-chloroethyl)naphthalene-1-sulfonamide
CID 114795610
N-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide
CID 115887203
5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide
CID 104850505
3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide
CID 142683354
N,N-bis(cyanomethyl)naphthalene-1-sulfonamide
CID 115684138
N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 115279924
N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide
CID 103340514
N-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide
CID 115684154
N-propan-2-ylnaphthalene-1-sulfonohydrazide
CID 141255188
N,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide
CID 4986710

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide?
The IUPAC name of N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide (CID 114795839) is N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide?
The canonical SMILES for N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide is C=CCN(CCC)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide?
The InChIKey is XAPSSGYPVNTIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-12-17(13-4-2)20(18,19)16-11-7-9-14-8-5-6-10-15(14)16/h3,5-11H,1,4,12-13H2,2H3.
What are the key properties of N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide?
N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide is sourced from PubChem (CID 114795839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).