3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide

C12H17Cl2NO3S — CID 106169954

IUPAC3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO3S/c1-3-12(2,6-7-16)15-19(17,18)9-4-5-10(13)11(14)8-9/h4-5,8,15-16H,3,6-7H2,1-2H3
InChIKeyLKKQXWNZGOLCJW-UHFFFAOYSA-N
MW326.25 g/mol
LogP2.82
Rot. Bonds6

About 3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide

3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106169954) has the molecular formula C12H17Cl2NO3S and a molecular weight of 326.25 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
PubChem CID106169954
Molecular FormulaC12H17Cl2NO3S
Molecular Weight326.25 g/mol
Exact Mass325.03
IUPAC Name3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO3S/c1-3-12(2,6-7-16)15-19(17,18)9-4-5-10(13)11(14)8-9/h4-5,8,15-16H,3,6-7H2,1-2H3
InChIKeyLKKQXWNZGOLCJW-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 106169794
3-chloro-4-(hydroxymethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331656
3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169573
N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 106169800
N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 106173679
4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
CID 106169656
2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619247
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide
CID 106170160
3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide
CID 65033108
5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide
CID 114153362

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide (CID 106169954) is 3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide is CCC(C)(CCO)NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is LKKQXWNZGOLCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO3S/c1-3-12(2,6-7-16)15-19(17,18)9-4-5-10(13)11(14)8-9/h4-5,8,15-16H,3,6-7H2,1-2H3.
What are the key properties of 3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 326.25 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106169954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).