2,5-dichloro-4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide

C13H17Cl2NO4S — CID 40793346

IUPAC2,5-dichloro-4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCCOc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)cc1Cl
InChIInChI=1S/C13H17Cl2NO4S/c1-2-19-12-6-11(15)13(7-10(12)14)21(17,18)16-8-9-4-3-5-20-9/h6-7,9,16H,2-5,8H2,1H3/t9-/m0/s1
InChIKeyNWXFNKWEAJSIEC-VIFPVBQESA-N
MW354.26 g/mol
LogP2.85
Rot. Bonds6

About 2,5-dichloro-4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide

2,5-dichloro-4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 40793346) has the molecular formula C13H17Cl2NO4S and a molecular weight of 354.26 g/mol. Its IUPAC name is 2,5-dichloro-4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID40793346
Molecular FormulaC13H17Cl2NO4S
Molecular Weight354.26 g/mol
Exact Mass353.03
IUPAC Name2,5-dichloro-4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCCOc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)cc1Cl
InChIInChI=1S/C13H17Cl2NO4S/c1-2-19-12-6-11(15)13(7-10(12)14)21(17,18)16-8-9-4-3-5-20-9/h6-7,9,16H,2-5,8H2,1H3/t9-/m0/s1
InChIKeyNWXFNKWEAJSIEC-VIFPVBQESA-N
XLogP2.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trichloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2897340
4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2968373
2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40793368
methyl 3-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 94812444
methyl 3-chloro-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 94812443
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522
4-bromo-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42999359
3-chloro-4-ethoxy-N-(oxolan-2-ylmethyl)aniline
CID 82835543
2,3-dichloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 900517
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487
N-[2-ethoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 6458754
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide (CID 40793346) is 2,5-dichloro-4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide is CCOc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is NWXFNKWEAJSIEC-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17Cl2NO4S/c1-2-19-12-6-11(15)13(7-10(12)14)21(17,18)16-8-9-4-3-5-20-9/h6-7,9,16H,2-5,8H2,1H3/t9-/m0/s1.
What are the key properties of 2,5-dichloro-4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
2,5-dichloro-4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 354.26 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 40793346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).