(NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide

C13H13NO2S2 — CID 110518897

IUPAC(NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C\c2sccc2C)cc1
InChIInChI=1S/C13H13NO2S2/c1-10-3-5-12(6-4-10)18(15,16)14-9-13-11(2)7-8-17-13/h3-9H,1-2H3/b14-9-
InChIKeyVHBLNYFCQOAVMT-ZROIWOOFSA-N
MW279.39 g/mol
LogP3.17
Rot. Bonds3

About (NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide

(NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide (PubChem CID 110518897) has the molecular formula C13H13NO2S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is (NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide
PubChem CID110518897
Molecular FormulaC13H13NO2S2
Molecular Weight279.39 g/mol
Exact Mass279.04
IUPAC Name(NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C\c2sccc2C)cc1
InChIInChI=1S/C13H13NO2S2/c1-10-3-5-12(6-4-10)18(15,16)14-9-13-11(2)7-8-17-13/h3-9H,1-2H3/b14-9-
InChIKeyVHBLNYFCQOAVMT-ZROIWOOFSA-N
XLogP3.17
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide
CID 693815
4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide
CID 86015739
(NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide
CID 177419048
4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide
CID 21240194
4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 720211
N-(2,4-dimethylphenyl)-1-(3-methylthiophen-2-yl)methanimine
CID 779006
4-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4230490
(3R)-1-(4-methylphenyl)sulfonyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]piperidine-3-carboxamide
CID 9409087
N-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide
CID 71417577
N-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide
CID 170338972
(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 11558334
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide
CID 110518160

Frequently Asked Questions

What is the IUPAC name of (NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide?
The IUPAC name of (NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide (CID 110518897) is (NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C\c2sccc2C)cc1.
What is the InChIKey of (NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide?
The InChIKey is VHBLNYFCQOAVMT-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H13NO2S2/c1-10-3-5-12(6-4-10)18(15,16)14-9-13-11(2)7-8-17-13/h3-9H,1-2H3/b14-9-.
What are the key properties of (NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide?
(NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide has a molecular weight of 279.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide is sourced from PubChem (CID 110518897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).