4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide

C16H17BrN2O2S — CID 6009587

IUPAC4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C)cc1C
InChIInChI=1S/C16H17BrN2O2S/c1-11-4-9-16(12(2)10-11)13(3)18-19-22(20,21)15-7-5-14(17)6-8-15/h4-10,19H,1-3H3/b18-13-
InChIKeyCNYSGBQTGZHKCC-AQTBWJFISA-N
MW381.30 g/mol
LogP3.77
Rot. Bonds4

About 4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide

4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide (PubChem CID 6009587) has the molecular formula C16H17BrN2O2S and a molecular weight of 381.30 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide
PubChem CID6009587
Molecular FormulaC16H17BrN2O2S
Molecular Weight381.30 g/mol
Exact Mass380.02
IUPAC Name4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C)cc1C
InChIInChI=1S/C16H17BrN2O2S/c1-11-4-9-16(12(2)10-11)13(3)18-19-22(20,21)15-7-5-14(17)6-8-15/h4-10,19H,1-3H3/b18-13-
InChIKeyCNYSGBQTGZHKCC-AQTBWJFISA-N
XLogP3.77
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073289
4-bromo-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]benzenesulfonamide
CID 9120973
4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135679456
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 72792791
4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide
CID 3580337
4-bromo-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]benzenesulfonamide
CID 9120982
N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888
N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 78093079
4-bromo-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]benzenesulfonamide
CID 9120988
4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide
CID 3925592
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide (CID 6009587) is 4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C)cc1C.
What is the InChIKey of 4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide?
The InChIKey is CNYSGBQTGZHKCC-AQTBWJFISA-N. The full InChI is InChI=1S/C16H17BrN2O2S/c1-11-4-9-16(12(2)10-11)13(3)18-19-22(20,21)15-7-5-14(17)6-8-15/h4-10,19H,1-3H3/b18-13-.
What are the key properties of 4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide?
4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide has a molecular weight of 381.30 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 6009587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).