4-methyl-N-[(E)-[(4-methylphenyl)-(4-nonoxyphenyl)methylidene]amino]benzenesulfonamide

C30H38N2O3S — CID 6180358

IUPAC4-methyl-N-[(E)-[(4-methylphenyl)-(4-nonoxyphenyl)methylidene]amino]benzenesulfonamide
SMILESCCCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H38N2O3S/c1-4-5-6-7-8-9-10-23-35-28-19-17-27(18-20-28)30(26-15-11-24(2)12-16-26)31-32-36(33,34)29-21-13-25(3)14-22-29/h11-22,32H,4-10,23H2,1-3H3/b31-30+
InChIKeyZXPQLXGACMMSII-NVQSTNCTSA-N
MW506.71 g/mol
LogP7.16
Rot. Bonds14

About 4-methyl-N-[(E)-[(4-methylphenyl)-(4-nonoxyphenyl)methylidene]amino]benzenesulfonamide

4-methyl-N-[(E)-[(4-methylphenyl)-(4-nonoxyphenyl)methylidene]amino]benzenesulfonamide (PubChem CID 6180358) has the molecular formula C30H38N2O3S and a molecular weight of 506.71 g/mol. Its IUPAC name is 4-methyl-N-[(E)-[(4-methylphenyl)-(4-nonoxyphenyl)methylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-[(4-methylphenyl)-(4-nonoxyphenyl)methylidene]amino]benzenesulfonamide
PubChem CID6180358
Molecular FormulaC30H38N2O3S
Molecular Weight506.71 g/mol
Exact Mass506.26
IUPAC Name4-methyl-N-[(E)-[(4-methylphenyl)-(4-nonoxyphenyl)methylidene]amino]benzenesulfonamide
SMILESCCCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H38N2O3S/c1-4-5-6-7-8-9-10-23-35-28-19-17-27(18-20-28)30(26-15-11-24(2)12-16-26)31-32-36(33,34)29-21-13-25(3)14-22-29/h11-22,32H,4-10,23H2,1-3H3/b31-30+
InChIKeyZXPQLXGACMMSII-NVQSTNCTSA-N
XLogP7.16
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.71
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[bis(4-hexoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 102033565
N-[(Z)-[(4-methoxyphenyl)-(4-nonoxyphenyl)methylidene]amino]-4-methylbenzenesulfonamide
CID 6509128
N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 139198570
N-(benzhydrylideneamino)-4-dodecylbenzenesulfonamide
CID 22613565
1-(4-pentoxyphenyl)ethanone;1,4-xylene
CID 142206673
(4-hexoxyphenyl) 4-methylbenzoate
CID 7573884
1-dodecoxy-4-[(4-dodecoxyphenyl)sulfonylmethylsulfonyl]benzene
CID 23437512
(4-pentoxyphenyl) 4-methylbenzoate
CID 58933293
N-(1-hexoxyethyl)-4-methylbenzenesulfonamide
CID 122209836
N'-(4-hexoxyphenyl)-4-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 67897681
1,6-bis(4-dodecoxyphenyl)hexane-1,3,4,6-tetrone
CID 71405251
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-[(4-methylphenyl)-(4-nonoxyphenyl)methylidene]amino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-[(4-methylphenyl)-(4-nonoxyphenyl)methylidene]amino]benzenesulfonamide (CID 6180358) is 4-methyl-N-[(E)-[(4-methylphenyl)-(4-nonoxyphenyl)methylidene]amino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-[(4-methylphenyl)-(4-nonoxyphenyl)methylidene]amino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-[(4-methylphenyl)-(4-nonoxyphenyl)methylidene]amino]benzenesulfonamide is CCCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-[(4-methylphenyl)-(4-nonoxyphenyl)methylidene]amino]benzenesulfonamide?
The InChIKey is ZXPQLXGACMMSII-NVQSTNCTSA-N. The full InChI is InChI=1S/C30H38N2O3S/c1-4-5-6-7-8-9-10-23-35-28-19-17-27(18-20-28)30(26-15-11-24(2)12-16-26)31-32-36(33,34)29-21-13-25(3)14-22-29/h11-22,32H,4-10,23H2,1-3H3/b31-30+.
What are the key properties of 4-methyl-N-[(E)-[(4-methylphenyl)-(4-nonoxyphenyl)methylidene]amino]benzenesulfonamide?
4-methyl-N-[(E)-[(4-methylphenyl)-(4-nonoxyphenyl)methylidene]amino]benzenesulfonamide has a molecular weight of 506.71 g/mol, XLogP of 7.16, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-[(4-methylphenyl)-(4-nonoxyphenyl)methylidene]amino]benzenesulfonamide is sourced from PubChem (CID 6180358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).