2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide

C14H21Cl2NO3S — CID 79471473

IUPAC2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(CO)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2NO3S/c1-4-10(3)8-17(5-2)21(19,20)14-6-11(9-18)12(15)7-13(14)16/h6-7,10,18H,4-5,8-9H2,1-3H3
InChIKeyRHWKCJZKBFIFGC-UHFFFAOYSA-N
MW354.30 g/mol
LogP3.54
Rot. Bonds7

About 2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide

2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 79471473) has the molecular formula C14H21Cl2NO3S and a molecular weight of 354.30 g/mol. Its IUPAC name is 2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide
PubChem CID79471473
Molecular FormulaC14H21Cl2NO3S
Molecular Weight354.30 g/mol
Exact Mass353.06
IUPAC Name2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(CO)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2NO3S/c1-4-10(3)8-17(5-2)21(19,20)14-6-11(9-18)12(15)7-13(14)16/h6-7,10,18H,4-5,8-9H2,1-3H3
InChIKeyRHWKCJZKBFIFGC-UHFFFAOYSA-N
XLogP3.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide (CID 79471473) is 2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CN(CC)S(=O)(=O)c1cc(CO)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is RHWKCJZKBFIFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO3S/c1-4-10(3)8-17(5-2)21(19,20)14-6-11(9-18)12(15)7-13(14)16/h6-7,10,18H,4-5,8-9H2,1-3H3.
What are the key properties of 2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide?
2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 354.30 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 79471473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).