2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide

C9H6Cl3N3O2S2 — CID 114053568

IUPAC2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide
SMILESCc1cc(Cl)nc(NS(=O)(=O)c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C9H6Cl3N3O2S2/c1-4-2-6(10)14-9(13-4)15-19(16,17)5-3-7(11)18-8(5)12/h2-3H,1H3,(H,13,14,15)
InChIKeyRITCSXSVGBZTKR-UHFFFAOYSA-N
MW358.66 g/mol
LogP3.61
Rot. Bonds3

About 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide

2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide (PubChem CID 114053568) has the molecular formula C9H6Cl3N3O2S2 and a molecular weight of 358.66 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide
PubChem CID114053568
Molecular FormulaC9H6Cl3N3O2S2
Molecular Weight358.66 g/mol
Exact Mass356.90
IUPAC Name2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide
SMILESCc1cc(Cl)nc(NS(=O)(=O)c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C9H6Cl3N3O2S2/c1-4-2-6(10)14-9(13-4)15-19(16,17)5-3-7(11)18-8(5)12/h2-3H,1H3,(H,13,14,15)
InChIKeyRITCSXSVGBZTKR-UHFFFAOYSA-N
XLogP3.61
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.66
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
CID 70138974
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
CID 113349554
2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide
CID 114053375
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide
CID 114051247
2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
CID 113258813
N-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 116813707
N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 3773428
N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43520652
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 104814671
ethyl 2-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10294454
N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167106

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide (CID 114053568) is 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide is Cc1cc(Cl)nc(NS(=O)(=O)c2cc(Cl)sc2Cl)n1.
What is the InChIKey of 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide?
The InChIKey is RITCSXSVGBZTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl3N3O2S2/c1-4-2-6(10)14-9(13-4)15-19(16,17)5-3-7(11)18-8(5)12/h2-3H,1H3,(H,13,14,15).
What are the key properties of 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide?
2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide has a molecular weight of 358.66 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 114053568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).