N-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide

C15H13Cl2NO5S — CID 3875916

IUPACN-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide
SMILESCCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H13Cl2NO5S/c1-2-18(10-3-4-12-13(7-10)23-8-22-12)24(20,21)14-6-9(16)5-11(17)15(14)19/h3-7,19H,2,8H2,1H3
InChIKeyHALWLPGDVSXVBN-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.64
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide

N-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide (PubChem CID 3875916) has the molecular formula C15H13Cl2NO5S and a molecular weight of 390.24 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide
PubChem CID3875916
Molecular FormulaC15H13Cl2NO5S
Molecular Weight390.24 g/mol
Exact Mass388.99
IUPAC NameN-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide
SMILESCCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H13Cl2NO5S/c1-2-18(10-3-4-12-13(7-10)23-8-22-12)24(20,21)14-6-9(16)5-11(17)15(14)19/h3-7,19H,2,8H2,1H3
InChIKeyHALWLPGDVSXVBN-UHFFFAOYSA-N
XLogP3.64
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-N-ethyl-2-fluorobenzenesulfonamide
CID 3434417
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3,5-dichloro-2-hydroxybenzenesulfonamide
CID 4524167
N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methylsulfanylbenzenesulfonamide
CID 100517507
N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide
CID 3670395
N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide
CID 3750088
N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide
CID 95969443
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-4-nitrobenzenesulfonamide
CID 100528191
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chlorophenyl)acetamide
CID 6488401
3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide
CID 4987406
ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate
CID 100509655
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide
CID 100550390
N-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide
CID 110752759

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide (CID 3875916) is N-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide is CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide?
The InChIKey is HALWLPGDVSXVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO5S/c1-2-18(10-3-4-12-13(7-10)23-8-22-12)24(20,21)14-6-9(16)5-11(17)15(14)19/h3-7,19H,2,8H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide?
N-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide has a molecular weight of 390.24 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 3875916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).