2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide

C16H12Cl4N2O4S4 — CID 70138974

IUPAC2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)c(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1C
InChIInChI=1S/C16H12Cl4N2O4S4/c1-7-3-9(21-29(23,24)11-5-13(17)27-15(11)19)10(4-8(7)2)22-30(25,26)12-6-14(18)28-16(12)20/h3-6,21-22H,1-2H3
InChIKeyBOIHGTYWUHNGHR-UHFFFAOYSA-N
MW566.36 g/mol
LogP6.64
Rot. Bonds6

About 2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide

2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide (PubChem CID 70138974) has the molecular formula C16H12Cl4N2O4S4 and a molecular weight of 566.36 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
PubChem CID70138974
Molecular FormulaC16H12Cl4N2O4S4
Molecular Weight566.36 g/mol
Exact Mass563.84
IUPAC Name2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)c(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1C
InChIInChI=1S/C16H12Cl4N2O4S4/c1-7-3-9(21-29(23,24)11-5-13(17)27-15(11)19)10(4-8(7)2)22-30(25,26)12-6-14(18)28-16(12)20/h3-6,21-22H,1-2H3
InChIKeyBOIHGTYWUHNGHR-UHFFFAOYSA-N
XLogP6.64
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.36
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide with MolForge

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Related Compounds

N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 3773428
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 104814671
N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167106
2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide
CID 18282859
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
CID 113349554
N-(2-amino-5-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43344144
2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide
CID 114051247
2,5-dichloro-N-(4-chloro-2-hydroxyphenyl)thiophene-3-sulfonamide
CID 81433543
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 63258569
2,5-dichloro-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 18274556
2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide
CID 114053568

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide (CID 70138974) is 2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide is Cc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)c(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1C.
What is the InChIKey of 2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide?
The InChIKey is BOIHGTYWUHNGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl4N2O4S4/c1-7-3-9(21-29(23,24)11-5-13(17)27-15(11)19)10(4-8(7)2)22-30(25,26)12-6-14(18)28-16(12)20/h3-6,21-22H,1-2H3.
What are the key properties of 2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide has a molecular weight of 566.36 g/mol, XLogP of 6.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 70138974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).