2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide

C9H13Cl2NO3S2 — CID 113351327

IUPAC2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide
SMILESCN(C(C)(C)CO)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H13Cl2NO3S2/c1-9(2,5-13)12(3)17(14,15)6-4-7(10)16-8(6)11/h4,13H,5H2,1-3H3
InChIKeyMTZDVJVFEMROFZ-UHFFFAOYSA-N
MW318.25 g/mol
LogP2.45
Rot. Bonds4

About 2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide

2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide (PubChem CID 113351327) has the molecular formula C9H13Cl2NO3S2 and a molecular weight of 318.25 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide
PubChem CID113351327
Molecular FormulaC9H13Cl2NO3S2
Molecular Weight318.25 g/mol
Exact Mass316.97
IUPAC Name2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide
SMILESCN(C(C)(C)CO)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H13Cl2NO3S2/c1-9(2,5-13)12(3)17(14,15)6-4-7(10)16-8(6)11/h4,13H,5H2,1-3H3
InChIKeyMTZDVJVFEMROFZ-UHFFFAOYSA-N
XLogP2.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide
CID 104556518
2-[tert-butyl-(2,5-dichlorothiophen-3-yl)sulfonylamino]acetic acid
CID 79269352
4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 115902770
4-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 113475560
2,5-dichlorothiophene-3-sulfonic acid;hydrofluoride
CID 174560905
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 115902653
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 113351322
2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide
CID 113317287
2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 43577625
2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 102675869
2,5-dichloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-3-sulfonamide
CID 61043471
N-(2-bromoethyl)-2,5-dichloro-N-propan-2-ylthiophene-3-sulfonamide
CID 80670842

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide (CID 113351327) is 2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide is CN(C(C)(C)CO)S(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide?
The InChIKey is MTZDVJVFEMROFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NO3S2/c1-9(2,5-13)12(3)17(14,15)6-4-7(10)16-8(6)11/h4,13H,5H2,1-3H3.
What are the key properties of 2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide?
2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide has a molecular weight of 318.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 113351327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).