3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide

C9H11Cl2NO3S — CID 43502121

IUPAC3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2NO3S/c1-6(5-13)12-16(14,15)7-2-3-8(10)9(11)4-7/h2-4,6,12-13H,5H2,1H3
InChIKeyHILHOOQKIVABKN-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.65
Rot. Bonds4

About 3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide

3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide (PubChem CID 43502121) has the molecular formula C9H11Cl2NO3S and a molecular weight of 284.16 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
PubChem CID43502121
Molecular FormulaC9H11Cl2NO3S
Molecular Weight284.16 g/mol
Exact Mass282.98
IUPAC Name3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2NO3S/c1-6(5-13)12-16(14,15)7-2-3-8(10)9(11)4-7/h2-4,6,12-13H,5H2,1H3
InChIKeyHILHOOQKIVABKN-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 106546351
3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 21078673
3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 115755311
3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 8893168
(2R)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 2451311
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 107212467
4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide
CID 4995794
4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 39086808

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide (CID 43502121) is 3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide is CC(CO)NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The InChIKey is HILHOOQKIVABKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO3S/c1-6(5-13)12-16(14,15)7-2-3-8(10)9(11)4-7/h2-4,6,12-13H,5H2,1H3.
What are the key properties of 3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide has a molecular weight of 284.16 g/mol, XLogP of 1.65, 4 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-hydroxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43502121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).