5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide

C11H17BrClNO3S2 — CID 103896649

IUPAC5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide
SMILESCC(C)(CCCO)CNS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H17BrClNO3S2/c1-11(2,4-3-5-15)7-14-19(16,17)9-6-8(13)10(12)18-9/h6,14-15H,3-5,7H2,1-2H3
InChIKeyRLUITYBXPJVMKX-UHFFFAOYSA-N
MW390.75 g/mol
LogP3.24
Rot. Bonds7

About 5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide (PubChem CID 103896649) has the molecular formula C11H17BrClNO3S2 and a molecular weight of 390.75 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide
PubChem CID103896649
Molecular FormulaC11H17BrClNO3S2
Molecular Weight390.75 g/mol
Exact Mass388.95
IUPAC Name5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide
SMILESCC(C)(CCCO)CNS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H17BrClNO3S2/c1-11(2,4-3-5-15)7-14-19(16,17)9-6-8(13)10(12)18-9/h6,14-15H,3-5,7H2,1-2H3
InChIKeyRLUITYBXPJVMKX-UHFFFAOYSA-N
XLogP3.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.75
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide
CID 80578090
5-bromo-4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide
CID 106256219
5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
CID 106140140
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-4-nitrothiophene-2-sulfonamide
CID 106143626
2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide
CID 113318751
5-bromo-4-chloro-N-[(2R)-2-hydroxypropyl]thiophene-2-sulfonamide
CID 83030123
6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide
CID 113347931
5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide
CID 106846697
5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide
CID 115302757
2-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 80577423
2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 103896643
5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide
CID 80577968

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide (CID 103896649) is 5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide is CC(C)(CCCO)CNS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide?
The InChIKey is RLUITYBXPJVMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrClNO3S2/c1-11(2,4-3-5-15)7-14-19(16,17)9-6-8(13)10(12)18-9/h6,14-15H,3-5,7H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide has a molecular weight of 390.75 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide is sourced from PubChem (CID 103896649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).