N-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide

C14H12BrClN2O2S — CID 6153990

IUPACN-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C14H12BrClN2O2S/c1-10(11-3-2-4-12(15)9-11)17-18-21(19,20)14-7-5-13(16)6-8-14/h2-9,18H,1H3/b17-10-
InChIKeyXKAMFXYELRRGEA-YVLHZVERSA-N
MW387.69 g/mol
LogP3.81
Rot. Bonds4

About N-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide

N-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide (PubChem CID 6153990) has the molecular formula C14H12BrClN2O2S and a molecular weight of 387.69 g/mol. Its IUPAC name is N-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide
PubChem CID6153990
Molecular FormulaC14H12BrClN2O2S
Molecular Weight387.69 g/mol
Exact Mass385.95
IUPAC NameN-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C14H12BrClN2O2S/c1-10(11-3-2-4-12(15)9-11)17-18-21(19,20)14-7-5-13(16)6-8-14/h2-9,18H,1H3/b17-10-
InChIKeyXKAMFXYELRRGEA-YVLHZVERSA-N
XLogP3.81
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.69
LogP ≤ 53.81
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-[3-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-4-chlorobenzamide
CID 3431894
4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135948718
N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888
4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide
CID 3580337
4-bromo-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]benzenesulfonamide
CID 9120988
N-[3-[(Z)-N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 6264160
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
4-bromo-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]benzenesulfonamide
CID 9120982
4-chloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135679431
4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide
CID 3925592
4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide
CID 6187295
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide (CID 6153990) is N-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Br)c1.
What is the InChIKey of N-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide?
The InChIKey is XKAMFXYELRRGEA-YVLHZVERSA-N. The full InChI is InChI=1S/C14H12BrClN2O2S/c1-10(11-3-2-4-12(15)9-11)17-18-21(19,20)14-7-5-13(16)6-8-14/h2-9,18H,1H3/b17-10-.
What are the key properties of N-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide?
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide has a molecular weight of 387.69 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-bromophenyl)ethylideneamino]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 6153990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).