N-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide

C23H25NO2S — CID 101038565

IUPACN-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCc2cccc(Cc3ccccc3)c2)cc1
InChIInChI=1S/C23H25NO2S/c1-19-12-14-23(15-13-19)27(25,26)24-16-6-11-21-9-5-10-22(18-21)17-20-7-3-2-4-8-20/h2-5,7-10,12-15,18,24H,6,11,16-17H2,1H3
InChIKeyPOPRVECUGAXVMO-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.50
Rot. Bonds8

About N-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide

N-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide (PubChem CID 101038565) has the molecular formula C23H25NO2S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide
PubChem CID101038565
Molecular FormulaC23H25NO2S
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC NameN-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCc2cccc(Cc3ccccc3)c2)cc1
InChIInChI=1S/C23H25NO2S/c1-19-12-14-23(15-13-19)27(25,26)24-16-6-11-21-9-5-10-22(18-21)17-20-7-3-2-4-8-20/h2-5,7-10,12-15,18,24H,6,11,16-17H2,1H3
InChIKeyPOPRVECUGAXVMO-UHFFFAOYSA-N
XLogP4.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946
2-bromo-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 55573437
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 60905949
N-[3-(3-benzyl-2-oxo-1,3-oxazol-5-yl)propyl]-4-methylbenzenesulfonamide
CID 164686970
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide
CID 110414948
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
4-iodo-N-(4-phenylbutyl)benzenesulfonamide
CID 5163174
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
N-[2-[benzyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71677105

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide (CID 101038565) is N-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCc2cccc(Cc3ccccc3)c2)cc1.
What is the InChIKey of N-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide?
The InChIKey is POPRVECUGAXVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2S/c1-19-12-14-23(15-13-19)27(25,26)24-16-6-11-21-9-5-10-22(18-21)17-20-7-3-2-4-8-20/h2-5,7-10,12-15,18,24H,6,11,16-17H2,1H3.
What are the key properties of N-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide?
N-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide has a molecular weight of 379.53 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 101038565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).