4-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide

C10H14ClNO4S — CID 684635

IUPAC4-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(CO)(CO)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO4S/c1-10(6-13,7-14)12-17(15,16)9-4-2-8(11)3-5-9/h2-5,12-14H,6-7H2,1H3
InChIKeyFJBXMDFXVGXKRB-UHFFFAOYSA-N
MW279.75 g/mol
LogP0.36
Rot. Bonds5

About 4-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide

4-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 684635) has the molecular formula C10H14ClNO4S and a molecular weight of 279.75 g/mol. Its IUPAC name is 4-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide
PubChem CID684635
Molecular FormulaC10H14ClNO4S
Molecular Weight279.75 g/mol
Exact Mass279.03
IUPAC Name4-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(CO)(CO)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO4S/c1-10(6-13,7-14)12-17(15,16)9-4-2-8(11)3-5-9/h2-5,12-14H,6-7H2,1H3
InChIKeyFJBXMDFXVGXKRB-UHFFFAOYSA-N
XLogP0.36
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
CID 11779875
(2S,3R)-N-(4-chlorophenyl)-1-hydroxy-3-methylpentane-2-sulfonamido
CID 25263462
N-(2-Hydroxy-1-(hydroxymethyl)-1-methylethyl)benzenesulfonamide
CID 720899
4-chloro-N-[(1S,2S)-1-(hydroxymethyl)-2-methylbutyl]benzenesulfonamide
CID 10039936
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 25263460
3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502186
5-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 46902197
4-chloro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
CID 9971551
4-chloro-n-[(1S)-1-(hydroxymethyl)-2,2-dimethylpropyl]benzenesulfonamide
CID 25263461
4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide
CID 3823677
4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 7314213
4-chloro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 25263459

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide (CID 684635) is 4-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide is CC(CO)(CO)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The InChIKey is FJBXMDFXVGXKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S/c1-10(6-13,7-14)12-17(15,16)9-4-2-8(11)3-5-9/h2-5,12-14H,6-7H2,1H3.
What are the key properties of 4-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide?
4-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 279.75 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 684635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).