N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide

C21H19ClN2O2S — CID 139198570

IUPACN-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide
SMILESCc1ccc(C(=NNS(=O)(=O)c2ccc(Cl)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H19ClN2O2S/c1-15-3-7-17(8-4-15)21(18-9-5-16(2)6-10-18)23-24-27(25,26)20-13-11-19(22)12-14-20/h3-14,24H,1-2H3
InChIKeyULCAEDVXAVUWEY-UHFFFAOYSA-N
MW398.92 g/mol
LogP4.69
Rot. Bonds5

About N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide

N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide (PubChem CID 139198570) has the molecular formula C21H19ClN2O2S and a molecular weight of 398.92 g/mol. Its IUPAC name is N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide
PubChem CID139198570
Molecular FormulaC21H19ClN2O2S
Molecular Weight398.92 g/mol
Exact Mass398.09
IUPAC NameN-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide
SMILESCc1ccc(C(=NNS(=O)(=O)c2ccc(Cl)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H19ClN2O2S/c1-15-3-7-17(8-4-15)21(18-9-5-16(2)6-10-18)23-24-27(25,26)20-13-11-19(22)12-14-20/h3-14,24H,1-2H3
InChIKeyULCAEDVXAVUWEY-UHFFFAOYSA-N
XLogP4.69
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide
CID 6383602
4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
CID 6287230
N-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide
CID 16748552
4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135948718
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
(1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride
CID 170607858
4-methyl-N-[(E)-[(4-methylphenyl)-(4-nonoxyphenyl)methylidene]amino]benzenesulfonamide
CID 6180358
N-[bis(4-hexoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 102033565
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954
N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride
CID 57088982
4-methyl-N-[(E)-1,1,1-trichloropropan-2-ylideneamino]benzenesulfonamide
CID 134897096

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide (CID 139198570) is N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide is Cc1ccc(C(=NNS(=O)(=O)c2ccc(Cl)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide?
The InChIKey is ULCAEDVXAVUWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2S/c1-15-3-7-17(8-4-15)21(18-9-5-16(2)6-10-18)23-24-27(25,26)20-13-11-19(22)12-14-20/h3-14,24H,1-2H3.
What are the key properties of N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide?
N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide has a molecular weight of 398.92 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 139198570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).