5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide

C17H19ClN2O3S — CID 110517051

IUPAC5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N/N=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-12(2)14-6-4-13(5-7-14)11-19-20-24(21,22)17-10-15(18)8-9-16(17)23-3/h4-12,20H,1-3H3/b19-11+
InChIKeyQLGRWRQIIIYUQN-YBFXNURJSA-N
MW366.87 g/mol
LogP3.78
Rot. Bonds6

About 5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide

5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 110517051) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
PubChem CID110517051
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N/N=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-12(2)14-6-4-13(5-7-14)11-19-20-24(21,22)17-10-15(18)8-9-16(17)23-3/h4-12,20H,1-3H3/b19-11+
InChIKeyQLGRWRQIIIYUQN-YBFXNURJSA-N
XLogP3.78
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.78
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

5-chloro-2-methoxy-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110517026
5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517070
5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide
CID 110516997
4-chloro-N-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 5186427
5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110517043
N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516627
2-methoxy-N-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-5-methylbenzenesulfonamide
CID 110518061
2,5-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 27524457
N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516571
CID 70601990
CID 70601990
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 17381305
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide (CID 110517051) is 5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)N/N=C/c1ccc(C(C)C)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is QLGRWRQIIIYUQN-YBFXNURJSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12(2)14-6-4-13(5-7-14)11-19-20-24(21,22)17-10-15(18)8-9-16(17)23-3/h4-12,20H,1-3H3/b19-11+.
What are the key properties of 5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide?
5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 366.87 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 110517051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).