N-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide

C16H17NO2S — CID 115887203

IUPACN-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide
SMILESC=CCN(C1CC1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H17NO2S/c1-2-12-17(14-10-11-14)20(18,19)16-9-5-7-13-6-3-4-8-15(13)16/h2-9,14H,1,10-12H2
InChIKeyVQDRPRIOSLTIPZ-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.18
Rot. Bonds5

About N-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide

N-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide (PubChem CID 115887203) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide
PubChem CID115887203
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide
SMILESC=CCN(C1CC1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H17NO2S/c1-2-12-17(14-10-11-14)20(18,19)16-9-5-7-13-6-3-4-8-15(13)16/h2-9,14H,1,10-12H2
InChIKeyVQDRPRIOSLTIPZ-UHFFFAOYSA-N
XLogP3.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.18
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

N-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide
CID 102873634
N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide
CID 102873538
2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid
CID 60950243
ethane;N-(piperidin-4-ylmethyl)-N-prop-2-enylnaphthalene-1-sulfonamide
CID 142910503
N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide
CID 114795839
4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 116528239
2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 60751139
N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide
CID 21131549
methyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate
CID 102931502
N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide
CID 102874432
N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide
CID 114795586
N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]naphthalene-1-sulfonamide;hydrochloride
CID 69420248

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide?
The IUPAC name of N-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide (CID 115887203) is N-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide is C=CCN(C1CC1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide?
The InChIKey is VQDRPRIOSLTIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-2-12-17(14-10-11-14)20(18,19)16-9-5-7-13-6-3-4-8-15(13)16/h2-9,14H,1,10-12H2.
What are the key properties of N-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide?
N-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide is sourced from PubChem (CID 115887203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).