2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide

C10H15Cl2NO3S2 — CID 113318751

IUPAC2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide
SMILESCC(C)(CCO)CNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H15Cl2NO3S2/c1-10(2,3-4-14)6-13-18(15,16)7-5-8(11)17-9(7)12/h5,13-14H,3-4,6H2,1-2H3
InChIKeySGTWWPGQMVGLFG-UHFFFAOYSA-N
MW332.27 g/mol
LogP2.74
Rot. Bonds6

About 2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide

2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide (PubChem CID 113318751) has the molecular formula C10H15Cl2NO3S2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide
PubChem CID113318751
Molecular FormulaC10H15Cl2NO3S2
Molecular Weight332.27 g/mol
Exact Mass330.99
IUPAC Name2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide
SMILESCC(C)(CCO)CNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H15Cl2NO3S2/c1-10(2,3-4-14)6-13-18(15,16)7-5-8(11)17-9(7)12/h5,13-14H,3-4,6H2,1-2H3
InChIKeySGTWWPGQMVGLFG-UHFFFAOYSA-N
XLogP2.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide
CID 114149844
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-4-nitrothiophene-2-sulfonamide
CID 106143626
5-amino-2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139709
2-amino-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139679
2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
CID 107319312
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 114285508
3-amino-5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylbenzenesulfonamide
CID 106139696
5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide
CID 103896649
2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide
CID 65036898
3-amino-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139850
2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid
CID 43386864

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide (CID 113318751) is 2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide is CC(C)(CCO)CNS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide?
The InChIKey is SGTWWPGQMVGLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2NO3S2/c1-10(2,3-4-14)6-13-18(15,16)7-5-8(11)17-9(7)12/h5,13-14H,3-4,6H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide has a molecular weight of 332.27 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide is sourced from PubChem (CID 113318751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).