4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide

C17H19ClN2O3S — CID 110516226

IUPAC4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
SMILESCC(C)COc1ccccc1/C=N/NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-13(2)12-23-17-6-4-3-5-14(17)11-19-20-24(21,22)16-9-7-15(18)8-10-16/h3-11,13,20H,12H2,1-2H3/b19-11+
InChIKeyLENVBRABFJYDAV-YBFXNURJSA-N
MW366.87 g/mol
LogP3.69
Rot. Bonds7

About 4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide

4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide (PubChem CID 110516226) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
PubChem CID110516226
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
SMILESCC(C)COc1ccccc1/C=N/NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-13(2)12-23-17-6-4-3-5-14(17)11-19-20-24(21,22)16-9-7-15(18)8-10-16/h3-11,13,20H,12H2,1-2H3/b19-11+
InChIKeyLENVBRABFJYDAV-YBFXNURJSA-N
XLogP3.69
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.69
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-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110509597
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 91972454
4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 5233908
4-chloro-N-[(E)-[3,5-dichloro-4-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110516269
N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643075
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643189
N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 6116874
3-chloro-N-[[2-(2-methylpropoxy)phenyl]methylideneamino]aniline
CID 110840296
4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 1349846
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 4992291
4-chloro-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide
CID 135647860
4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide
CID 136697043

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide (CID 110516226) is 4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide is CC(C)COc1ccccc1/C=N/NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is LENVBRABFJYDAV-YBFXNURJSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-13(2)12-23-17-6-4-3-5-14(17)11-19-20-24(21,22)16-9-7-15(18)8-10-16/h3-11,13,20H,12H2,1-2H3/b19-11+.
What are the key properties of 4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide?
4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 366.87 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 110516226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).