N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide

C15H15BrN2O4S — CID 110516627

IUPACN-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N/N=C/c2ccc(Br)cc2)c1
InChIInChI=1S/C15H15BrN2O4S/c1-21-13-7-8-14(22-2)15(9-13)23(19,20)18-17-10-11-3-5-12(16)6-4-11/h3-10,18H,1-2H3/b17-10+
InChIKeyOWVCIOZLLTZUPX-LICLKQGHSA-N
MW399.27 g/mol
LogP2.78
Rot. Bonds6

About N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide

N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide (PubChem CID 110516627) has the molecular formula C15H15BrN2O4S and a molecular weight of 399.27 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
PubChem CID110516627
Molecular FormulaC15H15BrN2O4S
Molecular Weight399.27 g/mol
Exact Mass397.99
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N/N=C/c2ccc(Br)cc2)c1
InChIInChI=1S/C15H15BrN2O4S/c1-21-13-7-8-14(22-2)15(9-13)23(19,20)18-17-10-11-3-5-12(16)6-4-11/h3-10,18H,1-2H3/b17-10+
InChIKeyOWVCIOZLLTZUPX-LICLKQGHSA-N
XLogP2.78
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 17381305
2,5-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 27524457
2,5-dimethoxy-N-[(E)-(2,3,6-trichlorophenyl)methylideneamino]benzenesulfonamide
CID 110516624
2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110516616
N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516571
2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 6131907
N-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516512
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 135647812
N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 6170879
4-bromo-N-[(3,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643274
5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 110517051
5-chloro-2-methoxy-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110517026

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide (CID 110516627) is N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N/N=C/c2ccc(Br)cc2)c1.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is OWVCIOZLLTZUPX-LICLKQGHSA-N. The full InChI is InChI=1S/C15H15BrN2O4S/c1-21-13-7-8-14(22-2)15(9-13)23(19,20)18-17-10-11-3-5-12(16)6-4-11/h3-10,18H,1-2H3/b17-10+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide?
N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 399.27 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110516627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).