N-butyl-2,3-dichloro-4-methoxybenzenesulfonamide

C11H15Cl2NO3S — CID 2198487

IUPACN-butyl-2,3-dichloro-4-methoxybenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO3S/c1-3-4-7-14-18(15,16)9-6-5-8(17-2)10(12)11(9)13/h5-6,14H,3-4,7H2,1-2H3
InChIKeyZRBZIWQYKKSIGB-UHFFFAOYSA-N
MW312.22 g/mol
LogP3.08
Rot. Bonds6

About N-butyl-2,3-dichloro-4-methoxybenzenesulfonamide

N-butyl-2,3-dichloro-4-methoxybenzenesulfonamide (PubChem CID 2198487) has the molecular formula C11H15Cl2NO3S and a molecular weight of 312.22 g/mol. Its IUPAC name is N-butyl-2,3-dichloro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-2,3-dichloro-4-methoxybenzenesulfonamide
PubChem CID2198487
Molecular FormulaC11H15Cl2NO3S
Molecular Weight312.22 g/mol
Exact Mass311.01
IUPAC NameN-butyl-2,3-dichloro-4-methoxybenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO3S/c1-3-4-7-14-18(15,16)9-6-5-8(17-2)10(12)11(9)13/h5-6,14H,3-4,7H2,1-2H3
InChIKeyZRBZIWQYKKSIGB-UHFFFAOYSA-N
XLogP3.08
TPSA55.40 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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,3-dichloro-4-methoxybenzenesulfonamide?
The IUPAC name of N-butyl-2,3-dichloro-4-methoxybenzenesulfonamide (CID 2198487) is N-butyl-2,3-dichloro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-butyl-2,3-dichloro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-butyl-2,3-dichloro-4-methoxybenzenesulfonamide is CCCCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl.
What is the InChIKey of N-butyl-2,3-dichloro-4-methoxybenzenesulfonamide?
The InChIKey is ZRBZIWQYKKSIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO3S/c1-3-4-7-14-18(15,16)9-6-5-8(17-2)10(12)11(9)13/h5-6,14H,3-4,7H2,1-2H3.
What are the key properties of N-butyl-2,3-dichloro-4-methoxybenzenesulfonamide?
N-butyl-2,3-dichloro-4-methoxybenzenesulfonamide has a molecular weight of 312.22 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,3-dichloro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 2198487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).