2-chloro-5-[4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-sulfinoanilino]thiophene

C14H10Cl2N2O4S4 — CID 175435734

IUPAC2-chloro-5-[4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-sulfinoanilino]thiophene
SMILESO=S(O)N(c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H10Cl2N2O4S4/c15-11-5-7-13(23-11)18(25(19)20)10-3-1-9(2-4-10)17-26(21,22)14-8-6-12(16)24-14/h1-8,17H,(H,19,20)
InChIKeyRENARCVGOOHXQL-UHFFFAOYSA-N
MW469.42 g/mol
LogP5.19
Rot. Bonds6

About 2-chloro-5-[4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-sulfinoanilino]thiophene

2-chloro-5-[4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-sulfinoanilino]thiophene (PubChem CID 175435734) has the molecular formula C14H10Cl2N2O4S4 and a molecular weight of 469.42 g/mol. Its IUPAC name is 2-chloro-5-[4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-sulfinoanilino]thiophene.

Molecular Properties

Compound Name2-chloro-5-[4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-sulfinoanilino]thiophene
PubChem CID175435734
Molecular FormulaC14H10Cl2N2O4S4
Molecular Weight469.42 g/mol
Exact Mass467.89
IUPAC Name2-chloro-5-[4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-sulfinoanilino]thiophene
SMILESO=S(O)N(c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H10Cl2N2O4S4/c15-11-5-7-13(23-11)18(25(19)20)10-3-1-9(2-4-10)17-26(21,22)14-8-6-12(16)24-14/h1-8,17H,(H,19,20)
InChIKeyRENARCVGOOHXQL-UHFFFAOYSA-N
XLogP5.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.42
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986155
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231
5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide
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5-chloro-N-[4-(sulfamoylmethyl)phenyl]thiophene-2-sulfonamide
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N-(4-bromo-3-iodophenyl)-5-chlorothiophene-2-sulfonamide
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N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772945
N-(6-amino-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 55025745
5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22202764
5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-sulfonamide
CID 35548201
5-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 5263595
5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 22205412
5-chloro-N-[4-(2-phenylethylamino)phenyl]thiophene-2-sulfonamide
CID 112983289

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-sulfinoanilino]thiophene?
The IUPAC name of 2-chloro-5-[4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-sulfinoanilino]thiophene (CID 175435734) is 2-chloro-5-[4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-sulfinoanilino]thiophene.
What is the SMILES notation for 2-chloro-5-[4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-sulfinoanilino]thiophene?
The canonical SMILES for 2-chloro-5-[4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-sulfinoanilino]thiophene is O=S(O)N(c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-[4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-sulfinoanilino]thiophene?
The InChIKey is RENARCVGOOHXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4S4/c15-11-5-7-13(23-11)18(25(19)20)10-3-1-9(2-4-10)17-26(21,22)14-8-6-12(16)24-14/h1-8,17H,(H,19,20).
What are the key properties of 2-chloro-5-[4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-sulfinoanilino]thiophene?
2-chloro-5-[4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-sulfinoanilino]thiophene has a molecular weight of 469.42 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-sulfinoanilino]thiophene is sourced from PubChem (CID 175435734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).