2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide

C10H13Cl2NO5S — CID 107848386

IUPAC2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide
SMILESO=S(=O)(NC(CO)(CO)CO)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H13Cl2NO5S/c11-7-1-2-8(12)9(3-7)19(17,18)13-10(4-14,5-15)6-16/h1-3,13-16H,4-6H2
InChIKeyUXGKFEOZNAOTFZ-UHFFFAOYSA-N
MW330.19 g/mol
LogP-0.01
Rot. Bonds6

About 2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide

2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide (PubChem CID 107848386) has the molecular formula C10H13Cl2NO5S and a molecular weight of 330.19 g/mol. Its IUPAC name is 2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide
PubChem CID107848386
Molecular FormulaC10H13Cl2NO5S
Molecular Weight330.19 g/mol
Exact Mass328.99
IUPAC Name2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide
SMILESO=S(=O)(NC(CO)(CO)CO)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H13Cl2NO5S/c11-7-1-2-8(12)9(3-7)19(17,18)13-10(4-14,5-15)6-16/h1-3,13-16H,4-6H2
InChIKeyUXGKFEOZNAOTFZ-UHFFFAOYSA-N
XLogP-0.01
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide
CID 66170118
3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide
CID 107847991
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide
CID 19684142
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 114008662
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxyethyl)acetamide
CID 126178977
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide
CID 61127500
4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 107843632
2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide
CID 114189630
2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837069

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide (CID 107848386) is 2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide is O=S(=O)(NC(CO)(CO)CO)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide?
The InChIKey is UXGKFEOZNAOTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO5S/c11-7-1-2-8(12)9(3-7)19(17,18)13-10(4-14,5-15)6-16/h1-3,13-16H,4-6H2.
What are the key properties of 2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide?
2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide has a molecular weight of 330.19 g/mol, XLogP of -0.01, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 107848386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).