(NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide

C14H14ClNO4S2 — CID 110518596

IUPAC(NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide
SMILESCCOc1c(Cl)cc(/C=N\S(=O)(=O)c2cccs2)cc1OC
InChIInChI=1S/C14H14ClNO4S2/c1-3-20-14-11(15)7-10(8-12(14)19-2)9-16-22(17,18)13-5-4-6-21-13/h4-9H,3H2,1-2H3/b16-9-
InChIKeyFQAARDRQEXMVBN-SXGWCWSVSA-N
MW359.86 g/mol
LogP3.62
Rot. Bonds6

About (NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide

(NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide (PubChem CID 110518596) has the molecular formula C14H14ClNO4S2 and a molecular weight of 359.86 g/mol. Its IUPAC name is (NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide
PubChem CID110518596
Molecular FormulaC14H14ClNO4S2
Molecular Weight359.86 g/mol
Exact Mass359.01
IUPAC Name(NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide
SMILESCCOc1c(Cl)cc(/C=N\S(=O)(=O)c2cccs2)cc1OC
InChIInChI=1S/C14H14ClNO4S2/c1-3-20-14-11(15)7-10(8-12(14)19-2)9-16-22(17,18)13-5-4-6-21-13/h4-9H,3H2,1-2H3/b16-9-
InChIKeyFQAARDRQEXMVBN-SXGWCWSVSA-N
XLogP3.62
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(3,5-dichloro-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518583
(NZ)-N-[(3-bromo-4-ethoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518572
(NZ)-N-[(3-methoxy-5-nitro-4-propoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518547
(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518625
(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518635
(NZ)-N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide
CID 110518758
(NZ)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylidene]thiophene-2-sulfonamide
CID 110518538
N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060280
N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110525702
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79347670
N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 110517359
methyl 3-[[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoyl]amino]-3-thiophen-2-ylpropanoate
CID 46534284

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide?
The IUPAC name of (NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide (CID 110518596) is (NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide.
What is the SMILES notation for (NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide?
The canonical SMILES for (NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide is CCOc1c(Cl)cc(/C=N\S(=O)(=O)c2cccs2)cc1OC.
What is the InChIKey of (NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide?
The InChIKey is FQAARDRQEXMVBN-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H14ClNO4S2/c1-3-20-14-11(15)7-10(8-12(14)19-2)9-16-22(17,18)13-5-4-6-21-13/h4-9H,3H2,1-2H3/b16-9-.
What are the key properties of (NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide?
(NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide has a molecular weight of 359.86 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]thiophene-2-sulfonamide is sourced from PubChem (CID 110518596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).