(NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide

C14H14N2O4S2 — CID 11151913

IUPAC(NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=S(\C)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H14N2O4S2/c1-11-3-9-14(10-4-11)22(19,20)15-21(2)13-7-5-12(6-8-13)16(17)18/h3-10H,1-2H3
InChIKeyHXRBQPKKRJMDQW-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.08
Rot. Bonds4

About (NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide

(NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide (PubChem CID 11151913) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide
PubChem CID11151913
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC Name(NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=S(\C)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H14N2O4S2/c1-11-3-9-14(10-4-11)22(19,20)15-21(2)13-7-5-12(6-8-13)16(17)18/h3-10H,1-2H3
InChIKeyHXRBQPKKRJMDQW-UHFFFAOYSA-N
XLogP3.08
TPSA89.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[dimethylamino-(4-nitrophenyl)-lambda4-sulfanylidene]benzenesulfonamide
CID 5162998
1-tert-butylsulfonyl-4-methylbenzene;1-tert-butylsulfonyl-4-nitrobenzene
CID 159921460
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
1-methyl-4-nitrobenzene;molecular nitrogen
CID 175124528
(NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 46245550
N'-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)ethanimidamide
CID 154719424
1-methyl-4-nitrobenzene tritetrafluoroborate
CID 175186870
1-methyl-4-[(4-nitrophenyl)methylsulfonyl]benzene
CID 800082
(NE)-4-methyl-N-[(4-nitrophenyl)methylidene]benzenesulfinamide
CID 15263571
N-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 85398945
N-[1-(4-methylphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 19680825
4-methylphenol;4-nitrophenol
CID 68529378

Frequently Asked Questions

What is the IUPAC name of (NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide?
The IUPAC name of (NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide (CID 11151913) is (NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide?
The canonical SMILES for (NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=S(\C)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide?
The InChIKey is HXRBQPKKRJMDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c1-11-3-9-14(10-4-11)22(19,20)15-21(2)13-7-5-12(6-8-13)16(17)18/h3-10H,1-2H3.
What are the key properties of (NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide?
(NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide has a molecular weight of 338.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 11151913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).