5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide

C10H16ClNO3S2 — CID 114153362

IUPAC5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNO3S2/c1-3-10(2,6-7-13)12-17(14,15)9-5-4-8(11)16-9/h4-5,12-13H,3,6-7H2,1-2H3
InChIKeyUKKLAHSNGPGXEW-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.23
Rot. Bonds6

About 5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide

5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide (PubChem CID 114153362) has the molecular formula C10H16ClNO3S2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide
PubChem CID114153362
Molecular FormulaC10H16ClNO3S2
Molecular Weight297.83 g/mol
Exact Mass297.03
IUPAC Name5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNO3S2/c1-3-10(2,6-7-13)12-17(14,15)9-5-4-8(11)16-9/h4-5,12-13H,3,6-7H2,1-2H3
InChIKeyUKKLAHSNGPGXEW-UHFFFAOYSA-N
XLogP2.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169954
N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 106169794
3-chloro-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169609
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
CID 106170126
5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 114293803
N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 106173679
4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106168486
2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-sulfonamide
CID 64549307
2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 114153291
3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165383
5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165463
3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169573

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide (CID 114153362) is 5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide is CCC(C)(CCO)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide?
The InChIKey is UKKLAHSNGPGXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO3S2/c1-3-10(2,6-7-13)12-17(14,15)9-5-4-8(11)16-9/h4-5,12-13H,3,6-7H2,1-2H3.
What are the key properties of 5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide?
5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide has a molecular weight of 297.83 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114153362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).