2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide

C14H19Cl2NO4S — CID 24511243

IUPAC2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCOCC1CCCO1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H19Cl2NO4S/c15-12-5-1-6-13(16)14(12)22(18,19)17-7-3-8-20-10-11-4-2-9-21-11/h1,5-6,11,17H,2-4,7-10H2
InChIKeyUEVRFFNDTHIEHX-UHFFFAOYSA-N
MW368.28 g/mol
LogP2.86
Rot. Bonds8

About 2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide

2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide (PubChem CID 24511243) has the molecular formula C14H19Cl2NO4S and a molecular weight of 368.28 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide
PubChem CID24511243
Molecular FormulaC14H19Cl2NO4S
Molecular Weight368.28 g/mol
Exact Mass367.04
IUPAC Name2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCOCC1CCCO1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H19Cl2NO4S/c15-12-5-1-6-13(16)14(12)22(18,19)17-7-3-8-20-10-11-4-2-9-21-11/h1,5-6,11,17H,2-4,7-10H2
InChIKeyUEVRFFNDTHIEHX-UHFFFAOYSA-N
XLogP2.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-[3-(oxolan-2-ylmethoxy)propyl]benzene-1,3-disulfonamide
CID 55512529
N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182486
4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid
CID 95153822
N-[3-(oxolan-2-ylmethoxy)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 24511253
N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 24511255
1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide
CID 95733836
N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide
CID 94171929
3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide
CID 61248566
N-[(2,4-dichlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43081326
2-oxo-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]chromene-6-sulfonamide
CID 32955601
N-[(4-bromo-2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115651725
N-[(4-bromo-3-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 103581519

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide (CID 24511243) is 2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide is O=S(=O)(NCCCOCC1CCCO1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide?
The InChIKey is UEVRFFNDTHIEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO4S/c15-12-5-1-6-13(16)14(12)22(18,19)17-7-3-8-20-10-11-4-2-9-21-11/h1,5-6,11,17H,2-4,7-10H2.
What are the key properties of 2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide?
2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide has a molecular weight of 368.28 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide is sourced from PubChem (CID 24511243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).