N-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide

C20H18ClNO2S — CID 100533124

IUPACN-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
SMILESC=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H18ClNO2S/c1-3-12-22(18-10-8-15(2)20(21)14-18)25(23,24)19-11-9-16-6-4-5-7-17(16)13-19/h3-11,13-14H,1,12H2,2H3
InChIKeyOLXVHAVVJJGUTC-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.18
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide

N-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide (PubChem CID 100533124) has the molecular formula C20H18ClNO2S and a molecular weight of 371.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
PubChem CID100533124
Molecular FormulaC20H18ClNO2S
Molecular Weight371.89 g/mol
Exact Mass371.07
IUPAC NameN-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
SMILESC=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H18ClNO2S/c1-3-12-22(18-10-8-15(2)20(21)14-18)25(23,24)19-11-9-16-6-4-5-7-17(16)13-19/h3-11,13-14H,1,12H2,2H3
InChIKeyOLXVHAVVJJGUTC-UHFFFAOYSA-N
XLogP5.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.18
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-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530628
N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530275
N-(3-chloro-4-methylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100517959
N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530860
N-(3,4-dimethoxyphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100532098
methyl 2-(3-chloro-4-methyl-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100533138
N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100531068
N-(2,3-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100532351
2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid
CID 2375923
N-(3,4-dichlorophenyl)-4-nitro-N-prop-2-enylbenzenesulfonamide
CID 100528993
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
methyl 2-(3,4-dimethyl-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100530643

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide (CID 100533124) is N-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide is C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
The InChIKey is OLXVHAVVJJGUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2S/c1-3-12-22(18-10-8-15(2)20(21)14-18)25(23,24)19-11-9-16-6-4-5-7-17(16)13-19/h3-11,13-14H,1,12H2,2H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
N-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide has a molecular weight of 371.89 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide is sourced from PubChem (CID 100533124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).