4-[(2E)-2-[1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide

C17H14BrN3O4S — CID 127052276

IUPAC4-[(2E)-2-[1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide
SMILESC/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C17H14BrN3O4S/c1-10(20-21-13-3-5-14(6-4-13)26(19,23)24)15-9-11-8-12(18)2-7-16(11)25-17(15)22/h2-9,21H,1H3,(H2,19,23,24)/b20-10+
InChIKeyVBUCMEPVXZQACZ-KEBDBYFISA-N
MW436.29 g/mol
LogP3.04
Rot. Bonds4

About 4-[(2E)-2-[1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide

4-[(2E)-2-[1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide (PubChem CID 127052276) has the molecular formula C17H14BrN3O4S and a molecular weight of 436.29 g/mol. Its IUPAC name is 4-[(2E)-2-[1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2E)-2-[1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide
PubChem CID127052276
Molecular FormulaC17H14BrN3O4S
Molecular Weight436.29 g/mol
Exact Mass434.99
IUPAC Name4-[(2E)-2-[1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide
SMILESC/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C17H14BrN3O4S/c1-10(20-21-13-3-5-14(6-4-13)26(19,23)24)15-9-11-8-12(18)2-7-16(11)25-17(15)22/h2-9,21H,1H3,(H2,19,23,24)/b20-10+
InChIKeyVBUCMEPVXZQACZ-KEBDBYFISA-N
XLogP3.04
TPSA114.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-[(E)-N-(3,4-dimethylanilino)-C-methylcarbonimidoyl]chromen-2-one
CID 7295867
4-[(2E)-2-[2-(benzenesulfonyl)-1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide
CID 162395139
6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one
CID 5417935
6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide
CID 1111853
4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 18282586
6-bromo-2-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)chromene-3-carboxamide
CID 16645643
1-(4-bromophenyl)-3-[(E)-1-(2-oxochromen-3-yl)ethylideneamino]thiourea
CID 171905530
3-[(E)-N-(3-chloroanilino)-C-methylcarbonimidoyl]chromen-2-one
CID 139225160
ethyl 6-bromo-2-oxochromene-3-carboxylate
CID 691747
4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 7066751
6-bromo-2-oxo-N-phenylchromene-3-carboxamide
CID 747661
ethyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]acetate
CID 3769308

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[(2E)-2-[1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide (CID 127052276) is 4-[(2E)-2-[1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2E)-2-[1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[(2E)-2-[1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide is C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cc2cc(Br)ccc2oc1=O.
What is the InChIKey of 4-[(2E)-2-[1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is VBUCMEPVXZQACZ-KEBDBYFISA-N. The full InChI is InChI=1S/C17H14BrN3O4S/c1-10(20-21-13-3-5-14(6-4-13)26(19,23)24)15-9-11-8-12(18)2-7-16(11)25-17(15)22/h2-9,21H,1H3,(H2,19,23,24)/b20-10+.
What are the key properties of 4-[(2E)-2-[1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide?
4-[(2E)-2-[1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 436.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 127052276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).