N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide

C19H16BrNO2S — CID 100531068

IUPACN-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
SMILESC=CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H16BrNO2S/c1-2-12-21(18-9-5-8-17(20)14-18)24(22,23)19-11-10-15-6-3-4-7-16(15)13-19/h2-11,13-14H,1,12H2
InChIKeyKTCYNBFOGPCWRE-UHFFFAOYSA-N
MW402.31 g/mol
LogP4.98
Rot. Bonds5

About N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide

N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide (PubChem CID 100531068) has the molecular formula C19H16BrNO2S and a molecular weight of 402.31 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
PubChem CID100531068
Molecular FormulaC19H16BrNO2S
Molecular Weight402.31 g/mol
Exact Mass401.01
IUPAC NameN-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
SMILESC=CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H16BrNO2S/c1-2-12-21(18-9-5-8-17(20)14-18)24(22,23)19-11-10-15-6-3-4-7-16(15)13-19/h2-11,13-14H,1,12H2
InChIKeyKTCYNBFOGPCWRE-UHFFFAOYSA-N
XLogP4.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.31
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100533124
N-(3,4-dimethoxyphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100532098
N-(2-chlorophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530860
N-(2,3-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100532351
2-[N-(benzenesulfonyl)-3-bromoanilino]acetate
CID 7308169
N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide
CID 38869062
4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 52706398
N-(3-methoxyphenyl)-3-nitro-N-prop-2-enylbenzenesulfonamide
CID 100521024
2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid
CID 2375923
N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502316

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
The IUPAC name of N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide (CID 100531068) is N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide is C=CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
The InChIKey is KTCYNBFOGPCWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO2S/c1-2-12-21(18-9-5-8-17(20)14-18)24(22,23)19-11-10-15-6-3-4-7-16(15)13-19/h2-11,13-14H,1,12H2.
What are the key properties of N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide?
N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide has a molecular weight of 402.31 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide is sourced from PubChem (CID 100531068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).