4,5-dimethyl-2-nitrobenzaldehyde;1-(4,5-dimethyl-2-nitrophenyl)-N-[(4-methylphenyl)sulfonylmethyl]methanimine;iodoform;iodomethane;4-methylbenzenesulfonohydrazide;triiodovanadium;vanadium

C35H40I7N5O9S2V2- — CID 159483418

IUPAC4,5-dimethyl-2-nitrobenzaldehyde;1-(4,5-dimethyl-2-nitrophenyl)-N-[(4-methylphenyl)sulfonylmethyl]methanimine;iodoform;iodomethane;4-methylbenzenesulfonohydrazide;triiodovanadium;vanadium
SMILESCc1cc(C=O)c([N+](=O)[O-])cc1C.Cc1ccc(S(=O)(=O)CN=Cc2cc(C)c(C)cc2[N+](=O)[O-])cc1.Cc1ccc(S(=O)(=O)NN)cc1.IC(I)I.I[V](I)I.[CH2-]I.[V]
InChIInChI=1S/C17H18N2O4S.C9H9NO3.C7H10N2O2S.CHI3.CH2I.3HI.2V/c1-12-4-6-16(7-5-12)24(22,23)11-18-10-15-8-13(2)14(3)9-17(15)19(20)21;1-6-3-8(5-11)9(10(12)13)4-7(6)2;1-6-2-4-7(5-3-6)12(10,11)9-8;2-1(3)4;1-2;;;;;/h4-10H,11H2,1-3H3;3-5H,1-2H3;2-5,9H,8H2,1H3;1H;1H2;3*1H;;/q;;;;-1;;;;;+3/p-3
InChIKeyRQWLWKQHYQLCJD-UHFFFAOYSA-K
MW1729.08 g/mol
LogP11.98
Rot. Bonds9

About 4,5-dimethyl-2-nitrobenzaldehyde;1-(4,5-dimethyl-2-nitrophenyl)-N-[(4-methylphenyl)sulfonylmethyl]methanimine;iodoform;iodomethane;4-methylbenzenesulfonohydrazide;triiodovanadium;vanadium

4,5-dimethyl-2-nitrobenzaldehyde;1-(4,5-dimethyl-2-nitrophenyl)-N-[(4-methylphenyl)sulfonylmethyl]methanimine;iodoform;iodomethane;4-methylbenzenesulfonohydrazide;triiodovanadium;vanadium (PubChem CID 159483418) has the molecular formula C35H40I7N5O9S2V2- and a molecular weight of 1729.08 g/mol. Its IUPAC name is 4,5-dimethyl-2-nitrobenzaldehyde;1-(4,5-dimethyl-2-nitrophenyl)-N-[(4-methylphenyl)sulfonylmethyl]methanimine;iodoform;iodomethane;4-methylbenzenesulfonohydrazide;triiodovanadium;vanadium.

Molecular Properties

Compound Name4,5-dimethyl-2-nitrobenzaldehyde;1-(4,5-dimethyl-2-nitrophenyl)-N-[(4-methylphenyl)sulfonylmethyl]methanimine;iodoform;iodomethane;4-methylbenzenesulfonohydrazide;triiodovanadium;vanadium
PubChem CID159483418
Molecular FormulaC35H40I7N5O9S2V2-
Molecular Weight1729.08 g/mol
Exact Mass1728.45
IUPAC Name4,5-dimethyl-2-nitrobenzaldehyde;1-(4,5-dimethyl-2-nitrophenyl)-N-[(4-methylphenyl)sulfonylmethyl]methanimine;iodoform;iodomethane;4-methylbenzenesulfonohydrazide;triiodovanadium;vanadium
SMILESCc1cc(C=O)c([N+](=O)[O-])cc1C.Cc1ccc(S(=O)(=O)CN=Cc2cc(C)c(C)cc2[N+](=O)[O-])cc1.Cc1ccc(S(=O)(=O)NN)cc1.IC(I)I.I[V](I)I.[CH2-]I.[V]
InChIInChI=1S/C17H18N2O4S.C9H9NO3.C7H10N2O2S.CHI3.CH2I.3HI.2V/c1-12-4-6-16(7-5-12)24(22,23)11-18-10-15-8-13(2)14(3)9-17(15)19(20)21;1-6-3-8(5-11)9(10(12)13)4-7(6)2;1-6-2-4-7(5-3-6)12(10,11)9-8;2-1(3)4;1-2;;;;;/h4-10H,11H2,1-3H3;3-5H,1-2H3;2-5,9H,8H2,1H3;1H;1H2;3*1H;;/q;;;;-1;;;;;+3/p-3
InChIKeyRQWLWKQHYQLCJD-UHFFFAOYSA-K
XLogP11.98
TPSA222.04 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001729.08
LogP ≤ 511.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-nitrobenzaldehyde;1-(4,5-dimethyl-2-nitrophenyl)-N-[(4-methylphenyl)sulfonylmethyl]methanimine;iodoform;iodomethane;4-methylbenzenesulfonohydrazide;triiodovanadium;vanadium?
The IUPAC name of 4,5-dimethyl-2-nitrobenzaldehyde;1-(4,5-dimethyl-2-nitrophenyl)-N-[(4-methylphenyl)sulfonylmethyl]methanimine;iodoform;iodomethane;4-methylbenzenesulfonohydrazide;triiodovanadium;vanadium (CID 159483418) is 4,5-dimethyl-2-nitrobenzaldehyde;1-(4,5-dimethyl-2-nitrophenyl)-N-[(4-methylphenyl)sulfonylmethyl]methanimine;iodoform;iodomethane;4-methylbenzenesulfonohydrazide;triiodovanadium;vanadium.
What is the SMILES notation for 4,5-dimethyl-2-nitrobenzaldehyde;1-(4,5-dimethyl-2-nitrophenyl)-N-[(4-methylphenyl)sulfonylmethyl]methanimine;iodoform;iodomethane;4-methylbenzenesulfonohydrazide;triiodovanadium;vanadium?
The canonical SMILES for 4,5-dimethyl-2-nitrobenzaldehyde;1-(4,5-dimethyl-2-nitrophenyl)-N-[(4-methylphenyl)sulfonylmethyl]methanimine;iodoform;iodomethane;4-methylbenzenesulfonohydrazide;triiodovanadium;vanadium is Cc1cc(C=O)c([N+](=O)[O-])cc1C.Cc1ccc(S(=O)(=O)CN=Cc2cc(C)c(C)cc2[N+](=O)[O-])cc1.Cc1ccc(S(=O)(=O)NN)cc1.IC(I)I.I[V](I)I.[CH2-]I.[V].
What is the InChIKey of 4,5-dimethyl-2-nitrobenzaldehyde;1-(4,5-dimethyl-2-nitrophenyl)-N-[(4-methylphenyl)sulfonylmethyl]methanimine;iodoform;iodomethane;4-methylbenzenesulfonohydrazide;triiodovanadium;vanadium?
The InChIKey is RQWLWKQHYQLCJD-UHFFFAOYSA-K. The full InChI is InChI=1S/C17H18N2O4S.C9H9NO3.C7H10N2O2S.CHI3.CH2I.3HI.2V/c1-12-4-6-16(7-5-12)24(22,23)11-18-10-15-8-13(2)14(3)9-17(15)19(20)21;1-6-3-8(5-11)9(10(12)13)4-7(6)2;1-6-2-4-7(5-3-6)12(10,11)9-8;2-1(3)4;1-2;;;;;/h4-10H,11H2,1-3H3;3-5H,1-2H3;2-5,9H,8H2,1H3;1H;1H2;3*1H;;/q;;;;-1;;;;;+3/p-3.
What are the key properties of 4,5-dimethyl-2-nitrobenzaldehyde;1-(4,5-dimethyl-2-nitrophenyl)-N-[(4-methylphenyl)sulfonylmethyl]methanimine;iodoform;iodomethane;4-methylbenzenesulfonohydrazide;triiodovanadium;vanadium?
4,5-dimethyl-2-nitrobenzaldehyde;1-(4,5-dimethyl-2-nitrophenyl)-N-[(4-methylphenyl)sulfonylmethyl]methanimine;iodoform;iodomethane;4-methylbenzenesulfonohydrazide;triiodovanadium;vanadium has a molecular weight of 1729.08 g/mol, XLogP of 11.98, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-nitrobenzaldehyde;1-(4,5-dimethyl-2-nitrophenyl)-N-[(4-methylphenyl)sulfonylmethyl]methanimine;iodoform;iodomethane;4-methylbenzenesulfonohydrazide;triiodovanadium;vanadium is sourced from PubChem (CID 159483418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).