(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide

C14H13NO4S2 — CID 19067517

IUPAC(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(/C=N/S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H13NO4S2/c1-20(16,17)13-9-7-12(8-10-13)11-15-21(18,19)14-5-3-2-4-6-14/h2-11H,1H3/b15-11+
InChIKeyGGBOREOJNOOMBV-RVDMUPIBSA-N
MW323.40 g/mol
LogP1.90
Rot. Bonds4

About (NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide

(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide (PubChem CID 19067517) has the molecular formula C14H13NO4S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide
PubChem CID19067517
Molecular FormulaC14H13NO4S2
Molecular Weight323.40 g/mol
Exact Mass323.03
IUPAC Name(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(/C=N/S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H13NO4S2/c1-20(16,17)13-9-7-12(8-10-13)11-15-21(18,19)14-5-3-2-4-6-14/h2-11H,1H3/b15-11+
InChIKeyGGBOREOJNOOMBV-RVDMUPIBSA-N
XLogP1.90
TPSA80.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 2760734
(NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide
CID 110518664
(NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide
CID 23240617
(NZ)-N-benzylidene-4-nitrobenzenesulfonamide
CID 6045437
1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
N-[(2-nitrophenyl)methylidene]benzenesulfonamide
CID 27877970
4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 720211
4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide
CID 59234789
(NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide
CID 58360990
(NZ)-N-[(3-chlorophenyl)methylidene]benzenesulfonamide
CID 110518847
N'-(benzenesulfonyl)methanimidamide
CID 69238367
N-[(3-nitrophenyl)methylidene]benzenesulfonamide
CID 85437032

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide?
The IUPAC name of (NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide (CID 19067517) is (NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide?
The canonical SMILES for (NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide is CS(=O)(=O)c1ccc(/C=N/S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide?
The InChIKey is GGBOREOJNOOMBV-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H13NO4S2/c1-20(16,17)13-9-7-12(8-10-13)11-15-21(18,19)14-5-3-2-4-6-14/h2-11H,1H3/b15-11+.
What are the key properties of (NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide?
(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide has a molecular weight of 323.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 19067517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).