N-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide

C18H22N2O2S — CID 170774954

IUPACN-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCCCCc1cccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C18H22N2O2S/c1-3-4-6-16-7-5-8-17(13-16)14-19-20-23(21,22)18-11-9-15(2)10-12-18/h5,7-14,20H,3-4,6H2,1-2H3/b19-14+
InChIKeyUYFJHMKBNUBPED-XMHGGMMESA-N
MW330.45 g/mol
LogP3.65
Rot. Bonds7

About N-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide

N-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 170774954) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID170774954
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCCCCc1cccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C18H22N2O2S/c1-3-4-6-16-7-5-8-17(13-16)14-19-20-23(21,22)18-11-9-15(2)10-12-18/h5,7-14,20H,3-4,6H2,1-2H3/b19-14+
InChIKeyUYFJHMKBNUBPED-XMHGGMMESA-N
XLogP3.65
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6042730
4-methyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 7028589
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
4-butyl-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]benzenesulfonamide
CID 17338077
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
N-[(Z)-benzylideneamino]-4-[2-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]ethyl]benzenesulfonamide
CID 125114108
N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 175789104
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 5415311
N-[(Z)-(2,6-dichloro-4-pyridinyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6034697
4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide
CID 164667639
4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 6910172
N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517879

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 170774954) is N-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide is CCCCc1cccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is UYFJHMKBNUBPED-XMHGGMMESA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-4-6-16-7-5-8-17(13-16)14-19-20-23(21,22)18-11-9-15(2)10-12-18/h5,7-14,20H,3-4,6H2,1-2H3/b19-14+.
What are the key properties of N-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 170774954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).