2,5-dichloro-N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]thiophene-3-sulfonamide;hydrochloride

C19H18Cl3N3O3S2 — CID 87902969

IUPAC2,5-dichloro-N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]thiophene-3-sulfonamide;hydrochloride
SMILESCl.N/N=C\c1ccc(CCOc2cccc(NS(=O)(=O)c3cc(Cl)sc3Cl)c2)cc1
InChIInChI=1S/C19H17Cl2N3O3S2.ClH/c20-18-11-17(19(21)28-18)29(25,26)24-15-2-1-3-16(10-15)27-9-8-13-4-6-14(7-5-13)12-23-22;/h1-7,10-12,24H,8-9,22H2;1H/b23-12-;
InChIKeyMMFPYKBYTLGZPU-DYHCZZJSSA-N
MW506.86 g/mol
LogP5.19
Rot. Bonds8

About 2,5-dichloro-N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]thiophene-3-sulfonamide;hydrochloride

2,5-dichloro-N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]thiophene-3-sulfonamide;hydrochloride (PubChem CID 87902969) has the molecular formula C19H18Cl3N3O3S2 and a molecular weight of 506.86 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]thiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2,5-dichloro-N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]thiophene-3-sulfonamide;hydrochloride
PubChem CID87902969
Molecular FormulaC19H18Cl3N3O3S2
Molecular Weight506.86 g/mol
Exact Mass504.99
IUPAC Name2,5-dichloro-N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]thiophene-3-sulfonamide;hydrochloride
SMILESCl.N/N=C\c1ccc(CCOc2cccc(NS(=O)(=O)c3cc(Cl)sc3Cl)c2)cc1
InChIInChI=1S/C19H17Cl2N3O3S2.ClH/c20-18-11-17(19(21)28-18)29(25,26)24-15-2-1-3-16(10-15)27-9-8-13-4-6-14(7-5-13)12-23-22;/h1-7,10-12,24H,8-9,22H2;1H/b23-12-;
InChIKeyMMFPYKBYTLGZPU-DYHCZZJSSA-N
XLogP5.19
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.86
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 87903048
2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide
CID 65030855
N-[3-(2-phenylethoxy)phenyl]naphthalene-1-sulfonamide
CID 10294593
2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 65345578
N-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide
CID 87903022
2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide
CID 34111661
2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide
CID 18289175
N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethylsulfanyl]phenyl]benzenesulfonamide;hydrochloride
CID 87903052
N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide
CID 63120987
N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 24656569
N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide
CID 3600344
N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604417

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]thiophene-3-sulfonamide;hydrochloride?
The IUPAC name of 2,5-dichloro-N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]thiophene-3-sulfonamide;hydrochloride (CID 87902969) is 2,5-dichloro-N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]thiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for 2,5-dichloro-N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]thiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for 2,5-dichloro-N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]thiophene-3-sulfonamide;hydrochloride is Cl.N/N=C\c1ccc(CCOc2cccc(NS(=O)(=O)c3cc(Cl)sc3Cl)c2)cc1.
What is the InChIKey of 2,5-dichloro-N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]thiophene-3-sulfonamide;hydrochloride?
The InChIKey is MMFPYKBYTLGZPU-DYHCZZJSSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3S2.ClH/c20-18-11-17(19(21)28-18)29(25,26)24-15-2-1-3-16(10-15)27-9-8-13-4-6-14(7-5-13)12-23-22;/h1-7,10-12,24H,8-9,22H2;1H/b23-12-;.
What are the key properties of 2,5-dichloro-N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]thiophene-3-sulfonamide;hydrochloride?
2,5-dichloro-N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]thiophene-3-sulfonamide;hydrochloride has a molecular weight of 506.86 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]thiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 87902969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).