N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide

C15H13ClN2O3S — CID 155806357

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClN2O3S/c1-22(20,21)13-8-6-11(7-9-13)15(19)18-17-10-12-4-2-3-5-14(12)16/h2-10H,1H3,(H,18,19)/b17-10+
InChIKeyCOVZWWQPBKCHHY-LICLKQGHSA-N
MW336.80 g/mol
LogP2.51
Rot. Bonds4

About N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide

N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide (PubChem CID 155806357) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide
PubChem CID155806357
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClN2O3S/c1-22(20,21)13-8-6-11(7-9-13)15(19)18-17-10-12-4-2-3-5-14(12)16/h2-10H,1H3,(H,18,19)/b17-10+
InChIKeyCOVZWWQPBKCHHY-LICLKQGHSA-N
XLogP2.51
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 3705620
4-(benzenesulfonamido)-N-[(Z)-(2-chlorophenyl)methylideneamino]benzamide
CID 6114827
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 6172930
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide
CID 135489914
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215445
N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 43879535
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 28588974
3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 5196692
N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920979

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide (CID 155806357) is N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide?
The InChIKey is COVZWWQPBKCHHY-LICLKQGHSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c1-22(20,21)13-8-6-11(7-9-13)15(19)18-17-10-12-4-2-3-5-14(12)16/h2-10H,1H3,(H,18,19)/b17-10+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide has a molecular weight of 336.80 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide is sourced from PubChem (CID 155806357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).