2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide

C17H19N3O4S — CID 3288647

IUPAC2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1cc(C)ccc1C)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C17H19N3O4S/c1-11-5-6-13(3)17(9-11)25(23,24)19-18-14(4)15-8-7-12(2)16(10-15)20(21)22/h5-10,19H,1-4H3
InChIKeyPMOWDGIREYGHNW-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.22
Rot. Bonds5

About 2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide

2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide (PubChem CID 3288647) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide
PubChem CID3288647
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1cc(C)ccc1C)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C17H19N3O4S/c1-11-5-6-13(3)17(9-11)25(23,24)19-18-14(4)15-8-7-12(2)16(10-15)20(21)22/h5-10,19H,1-4H3
InChIKeyPMOWDGIREYGHNW-UHFFFAOYSA-N
XLogP3.22
TPSA101.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 3263772
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 7965468
N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6219518
N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide
CID 6272511
N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 9231636
2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide
CID 136908398
N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 9217433
1,4-dimethyl-2-nitrobenzene
CID 20849377
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzenesulfonamide
CID 8826023
2,5-dimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 6892752
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6265756

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide (CID 3288647) is 2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide is CC(=NNS(=O)(=O)c1cc(C)ccc1C)c1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of 2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide?
The InChIKey is PMOWDGIREYGHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-11-5-6-13(3)17(9-11)25(23,24)19-18-14(4)15-8-7-12(2)16(10-15)20(21)22/h5-10,19H,1-4H3.
What are the key properties of 2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide?
2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 3288647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).