2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide

C10H13Cl2NO3S — CID 670298

IUPAC2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
SMILESCOC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H13Cl2NO3S/c1-7(6-16-2)13-17(14,15)10-5-8(11)3-4-9(10)12/h3-5,7,13H,6H2,1-2H3/t7-/m0/s1
InChIKeyLPBOKNCMMQWNCO-ZETCQYMHSA-N
MW298.19 g/mol
LogP2.31
Rot. Bonds5

About 2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide

2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide (PubChem CID 670298) has the molecular formula C10H13Cl2NO3S and a molecular weight of 298.19 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
PubChem CID670298
Molecular FormulaC10H13Cl2NO3S
Molecular Weight298.19 g/mol
Exact Mass297.00
IUPAC Name2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
SMILESCOC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H13Cl2NO3S/c1-7(6-16-2)13-17(14,15)10-5-8(11)3-4-9(10)12/h3-5,7,13H,6H2,1-2H3/t7-/m0/s1
InChIKeyLPBOKNCMMQWNCO-ZETCQYMHSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 5184702
2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 43081929
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 126392529
2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide
CID 114163434
2-chloro-4-cyano-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 103988819
methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate
CID 113253329
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide
CID 114419120
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide (CID 670298) is 2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide is COC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide?
The InChIKey is LPBOKNCMMQWNCO-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13Cl2NO3S/c1-7(6-16-2)13-17(14,15)10-5-8(11)3-4-9(10)12/h3-5,7,13H,6H2,1-2H3/t7-/m0/s1.
What are the key properties of 2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide?
2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide has a molecular weight of 298.19 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 670298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).