N-methyl-N-[2-[(E)-pent-3-enyl]phenyl]benzenesulfonamide

C18H21NO2S — CID 142638035

IUPACN-methyl-N-[2-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
SMILESC/C=C/CCc1ccccc1N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21NO2S/c1-3-4-6-11-16-12-9-10-15-18(16)19(2)22(20,21)17-13-7-5-8-14-17/h3-5,7-10,12-15H,6,11H2,1-2H3/b4-3+
InChIKeyXPNJOUQYADYJGX-ONEGZZNKSA-N
MW315.44 g/mol
LogP4.02
Rot. Bonds6

About N-methyl-N-[2-[(E)-pent-3-enyl]phenyl]benzenesulfonamide

N-methyl-N-[2-[(E)-pent-3-enyl]phenyl]benzenesulfonamide (PubChem CID 142638035) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-methyl-N-[2-[(E)-pent-3-enyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
PubChem CID142638035
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-methyl-N-[2-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
SMILESC/C=C/CCc1ccccc1N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21NO2S/c1-3-4-6-11-16-12-9-10-15-18(16)19(2)22(20,21)17-13-7-5-8-14-17/h3-5,7-10,12-15H,6,11H2,1-2H3/b4-3+
InChIKeyXPNJOUQYADYJGX-ONEGZZNKSA-N
XLogP4.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.02
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-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502093
N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 95046460
N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
CID 141178655
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
3-[2-[methyl(propan-2-yl)amino]phenyl]propanal
CID 176690598
pent-3-enylbenzene
CID 519421
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide
CID 126335731
N-(2,3-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 126385130
4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 51096183
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 100787781
N-[(E)-hept-2-enyl]-N-methylbenzenesulfonamide
CID 6375331
N-(bromomethyl)-N-methylbenzenesulfonamide
CID 66916911

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(E)-pent-3-enyl]phenyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[2-[(E)-pent-3-enyl]phenyl]benzenesulfonamide (CID 142638035) is N-methyl-N-[2-[(E)-pent-3-enyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[(E)-pent-3-enyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[2-[(E)-pent-3-enyl]phenyl]benzenesulfonamide is C/C=C/CCc1ccccc1N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[2-[(E)-pent-3-enyl]phenyl]benzenesulfonamide?
The InChIKey is XPNJOUQYADYJGX-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-3-4-6-11-16-12-9-10-15-18(16)19(2)22(20,21)17-13-7-5-8-14-17/h3-5,7-10,12-15H,6,11H2,1-2H3/b4-3+.
What are the key properties of N-methyl-N-[2-[(E)-pent-3-enyl]phenyl]benzenesulfonamide?
N-methyl-N-[2-[(E)-pent-3-enyl]phenyl]benzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(E)-pent-3-enyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 142638035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).