3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide

C10H13Cl2NO4S — CID 3498417

IUPAC3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)OC
InChIInChI=1S/C10H13Cl2NO4S/c1-16-10(17-2)6-13-18(14,15)7-3-4-8(11)9(12)5-7/h3-5,10,13H,6H2,1-2H3
InChIKeyHPAPAMVWQQFHNT-UHFFFAOYSA-N
MW314.19 g/mol
LogP1.89
Rot. Bonds6

About 3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide

3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide (PubChem CID 3498417) has the molecular formula C10H13Cl2NO4S and a molecular weight of 314.19 g/mol. Its IUPAC name is 3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide
PubChem CID3498417
Molecular FormulaC10H13Cl2NO4S
Molecular Weight314.19 g/mol
Exact Mass312.99
IUPAC Name3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)OC
InChIInChI=1S/C10H13Cl2NO4S/c1-16-10(17-2)6-13-18(14,15)7-3-4-8(11)9(12)5-7/h3-5,10,13H,6H2,1-2H3
InChIKeyHPAPAMVWQQFHNT-UHFFFAOYSA-N
XLogP1.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(2,2-dimethoxyethylsulfamoyl)benzoic acid
CID 78907701
2-[[(3,4-dichlorophenyl)sulfonylamino]methyl]butanoic acid
CID 65222683
4-bromo-N-(2,2-dimethoxyethyl)-3-methylbenzenesulfonamide
CID 60707811
4-(2-chloroethyl)-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 28719373
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
3,4-dichloro-N-(2-chloro-2-cyclopropylethyl)benzenesulfonamide
CID 65031737
4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 60643280
3-[[(3,4-dichlorophenyl)sulfonylamino]methyl]pentanoic acid
CID 81066204
N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
CID 28754074
3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 110359442
3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033465
3-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
CID 102697592

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide (CID 3498417) is 3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide is COC(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)OC.
What is the InChIKey of 3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide?
The InChIKey is HPAPAMVWQQFHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO4S/c1-16-10(17-2)6-13-18(14,15)7-3-4-8(11)9(12)5-7/h3-5,10,13H,6H2,1-2H3.
What are the key properties of 3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide?
3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide has a molecular weight of 314.19 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide is sourced from PubChem (CID 3498417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).