N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide

C19H16ClNO2S — CID 100530860

IUPACN-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H16ClNO2S/c1-2-13-21(19-10-6-5-9-18(19)20)24(22,23)17-12-11-15-7-3-4-8-16(15)14-17/h2-12,14H,1,13H2
InChIKeyPJDHWULHAZYRQF-UHFFFAOYSA-N
MW357.86 g/mol
LogP4.87
Rot. Bonds5

About N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide

N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide (PubChem CID 100530860) has the molecular formula C19H16ClNO2S and a molecular weight of 357.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
PubChem CID100530860
Molecular FormulaC19H16ClNO2S
Molecular Weight357.86 g/mol
Exact Mass357.06
IUPAC NameN-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H16ClNO2S/c1-2-13-21(19-10-6-5-9-18(19)20)24(22,23)17-12-11-15-7-3-4-8-16(15)14-17/h2-12,14H,1,13H2
InChIKeyPJDHWULHAZYRQF-UHFFFAOYSA-N
XLogP4.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 54.87
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-(2,3-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100532351
3-chloro-N-(2-chlorophenyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100510758
N-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100533124
N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100542077
N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530275
N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100531068
N-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530628
N-(3,4-dimethoxyphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100532098
(4-cyanophenyl) 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2409931
2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100533072
N-(2-chlorophenyl)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 30131964
N-(2-chlorophenyl)-3-(3-methylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 86878865

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide (CID 100530860) is N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide is C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
The InChIKey is PJDHWULHAZYRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2S/c1-2-13-21(19-10-6-5-9-18(19)20)24(22,23)17-12-11-15-7-3-4-8-16(15)14-17/h2-12,14H,1,13H2.
What are the key properties of N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide has a molecular weight of 357.86 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide is sourced from PubChem (CID 100530860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).