4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide

C18H20N2O2S — CID 164667639

IUPAC4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C18H20N2O2S/c1-14-6-10-18(11-7-14)23(21,22)20-19-13-15-8-9-16-4-2-3-5-17(16)12-15/h6-13,20H,2-5H2,1H3/b19-13+
InChIKeyAETRBLKHZDRMEU-CPNJWEJPSA-N
MW328.44 g/mol
LogP3.19
Rot. Bonds4

About 4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide

4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide (PubChem CID 164667639) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide
PubChem CID164667639
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C18H20N2O2S/c1-14-6-10-18(11-7-14)23(21,22)20-19-13-15-8-9-16-4-2-3-5-17(16)12-15/h6-13,20H,2-5H2,1H3/b19-13+
InChIKeyAETRBLKHZDRMEU-CPNJWEJPSA-N
XLogP3.19
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.19
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)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6042730
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
N-[(E)-(3-chloro-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6872847
N-[(Z)-(2,6-dichloro-4-pyridinyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6034697
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135783691
4-methyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 7028589
4-methyl-N-[(E)-[4-(propan-2-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide
CID 170774931
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 5415311
6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene
CID 57430782
4-methyl-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide
CID 129072059
N-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 165180286

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide (CID 164667639) is 4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide?
The InChIKey is AETRBLKHZDRMEU-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-14-6-10-18(11-7-14)23(21,22)20-19-13-15-8-9-16-4-2-3-5-17(16)12-15/h6-13,20H,2-5H2,1H3/b19-13+.
What are the key properties of 4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide?
4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-5,6,7,8-tetrahydronaphthalen-2-ylmethylideneamino]benzenesulfonamide is sourced from PubChem (CID 164667639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).