(NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide

C20H16ClNO2S — CID 134997731

IUPAC(NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(\c2ccccc2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H16ClNO2S/c1-15-10-12-19(13-11-15)25(23,24)22-20(16-6-3-2-4-7-16)17-8-5-9-18(21)14-17/h2-14H,1H3/b22-20+
InChIKeyLBDWLGRLGIXFEH-LSDHQDQOSA-N
MW369.87 g/mol
LogP4.87
Rot. Bonds4

About (NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide

(NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide (PubChem CID 134997731) has the molecular formula C20H16ClNO2S and a molecular weight of 369.87 g/mol. Its IUPAC name is (NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide
PubChem CID134997731
Molecular FormulaC20H16ClNO2S
Molecular Weight369.87 g/mol
Exact Mass369.06
IUPAC Name(NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(\c2ccccc2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H16ClNO2S/c1-15-10-12-19(13-11-15)25(23,24)22-20(16-6-3-2-4-7-16)17-8-5-9-18(21)14-17/h2-14H,1H3/b22-20+
InChIKeyLBDWLGRLGIXFEH-LSDHQDQOSA-N
XLogP4.87
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE)-4-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 134997728
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
CID 178184329
(4-methylphenyl) N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 2305333
N-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide
CID 16748552
methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5408818
N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
CID 74345526
N'-(4-methylphenyl)sulfonyl-N-[4-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]iminocyclohexa-2,5-dien-1-ylidene]benzenecarboximidamide
CID 75408906
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
2,3,6-trichloro-4-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]phenolate
CID 3637018
1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)ethane-1,2-dione
CID 18463772
N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide
CID 555502
(NZ)-4-methyl-N-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]benzenesulfonamide
CID 139236527

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide (CID 134997731) is (NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C(\c2ccccc2)c2cccc(Cl)c2)cc1.
What is the InChIKey of (NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide?
The InChIKey is LBDWLGRLGIXFEH-LSDHQDQOSA-N. The full InChI is InChI=1S/C20H16ClNO2S/c1-15-10-12-19(13-11-15)25(23,24)22-20(16-6-3-2-4-7-16)17-8-5-9-18(21)14-17/h2-14H,1H3/b22-20+.
What are the key properties of (NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide?
(NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide has a molecular weight of 369.87 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134997731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).