3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide

C11H15Cl2NO3S — CID 115755430

IUPAC3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H15Cl2NO3S/c1-2-14(4-3-5-15)18(16,17)11-7-9(12)6-10(13)8-11/h6-8,15H,2-5H2,1H3
InChIKeyRWRBHIZISDBVAU-UHFFFAOYSA-N
MW312.22 g/mol
LogP2.39
Rot. Bonds6

About 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide

3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 115755430) has the molecular formula C11H15Cl2NO3S and a molecular weight of 312.22 g/mol. Its IUPAC name is 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID115755430
Molecular FormulaC11H15Cl2NO3S
Molecular Weight312.22 g/mol
Exact Mass311.01
IUPAC Name3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H15Cl2NO3S/c1-2-14(4-3-5-15)18(16,17)11-7-9(12)6-10(13)8-11/h6-8,15H,2-5H2,1H3
InChIKeyRWRBHIZISDBVAU-UHFFFAOYSA-N
XLogP2.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448011
3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 113468559
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
N-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 80672478
N-ethyl-N-(3-hydroxypropyl)naphthalene-2-sulfonamide
CID 115755343
4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 113468571
3,5-dichloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387979
4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755380
N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422373
2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide
CID 60980774
N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide
CID 115755454
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 79664332

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide (CID 115755430) is 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide is CCN(CCCO)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is RWRBHIZISDBVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO3S/c1-2-14(4-3-5-15)18(16,17)11-7-9(12)6-10(13)8-11/h6-8,15H,2-5H2,1H3.
What are the key properties of 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide?
3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 312.22 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 115755430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).