2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide

C10H13Cl2NO5S2 — CID 63191807

IUPAC2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide
SMILESCS(=O)(=O)CCCOc1ccc(S(N)(=O)=O)c(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NO5S2/c1-19(14,15)6-2-5-18-7-3-4-8(20(13,16)17)10(12)9(7)11/h3-4H,2,5-6H2,1H3,(H2,13,16,17)
InChIKeyPXDHPDACALDNJL-UHFFFAOYSA-N
MW362.26 g/mol
LogP1.45
Rot. Bonds6

About 2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide

2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide (PubChem CID 63191807) has the molecular formula C10H13Cl2NO5S2 and a molecular weight of 362.26 g/mol. Its IUPAC name is 2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide
PubChem CID63191807
Molecular FormulaC10H13Cl2NO5S2
Molecular Weight362.26 g/mol
Exact Mass360.96
IUPAC Name2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide
SMILESCS(=O)(=O)CCCOc1ccc(S(N)(=O)=O)c(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NO5S2/c1-19(14,15)6-2-5-18-7-3-4-8(20(13,16)17)10(12)9(7)11/h3-4H,2,5-6H2,1H3,(H2,13,16,17)
InChIKeyPXDHPDACALDNJL-UHFFFAOYSA-N
XLogP1.45
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide
CID 65098440
2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide
CID 82913408
4-but-2-ynoxy-2,3-dichlorobenzenesulfonamide
CID 82912289
2,3-dichloro-4-phenylmethoxybenzenesulfonamide
CID 43164582
2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide
CID 43342544
2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide
CID 82911048
3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide
CID 82913410
2,3-dichloro-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82913767
2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82869265
2,3-dichloro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107915004
2,3-dichloro-4-(4-methylpentoxy)benzenesulfonyl chloride
CID 83157190
2,3-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide
CID 82912874

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide (CID 63191807) is 2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide is CS(=O)(=O)CCCOc1ccc(S(N)(=O)=O)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide?
The InChIKey is PXDHPDACALDNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO5S2/c1-19(14,15)6-2-5-18-7-3-4-8(20(13,16)17)10(12)9(7)11/h3-4H,2,5-6H2,1H3,(H2,13,16,17).
What are the key properties of 2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide?
2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide has a molecular weight of 362.26 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide is sourced from PubChem (CID 63191807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).