4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide

C14H15BrN2O2S2 — CID 9120973

IUPAC4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1cc(C)sc1C
InChIInChI=1S/C14H15BrN2O2S2/c1-9-8-14(11(3)20-9)10(2)16-17-21(18,19)13-6-4-12(15)5-7-13/h4-8,17H,1-3H3/b16-10-
InChIKeyCJEFKKZRZPNNFL-YBEGLDIGSA-N
MW387.32 g/mol
LogP3.83
Rot. Bonds4

About 4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide

4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide (PubChem CID 9120973) has the molecular formula C14H15BrN2O2S2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide
PubChem CID9120973
Molecular FormulaC14H15BrN2O2S2
Molecular Weight387.32 g/mol
Exact Mass385.98
IUPAC Name4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1cc(C)sc1C
InChIInChI=1S/C14H15BrN2O2S2/c1-9-8-14(11(3)20-9)10(2)16-17-21(18,19)13-6-4-12(15)5-7-13/h4-8,17H,1-3H3/b16-10-
InChIKeyCJEFKKZRZPNNFL-YBEGLDIGSA-N
XLogP3.83
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.83
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

4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide
CID 6009587
4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135679456
4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide
CID 3580337
4-bromo-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]benzenesulfonamide
CID 9120982
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073289
N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888
4-bromo-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]benzenesulfonamide
CID 9120988
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 72792791
4-bromo-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]benzenesulfonamide
CID 6052627
ethyl 5-[(E)-N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 135679785
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 78093079

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide (CID 9120973) is 4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1cc(C)sc1C.
What is the InChIKey of 4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide?
The InChIKey is CJEFKKZRZPNNFL-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H15BrN2O2S2/c1-9-8-14(11(3)20-9)10(2)16-17-21(18,19)13-6-4-12(15)5-7-13/h4-8,17H,1-3H3/b16-10-.
What are the key properties of 4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide?
4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide has a molecular weight of 387.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 9120973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).