2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide

C12H20ClNO2S2 — CID 102750346

IUPAC2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1c(C)csc1CCl
InChIInChI=1S/C12H20ClNO2S2/c1-4-6-14(7-5-2)18(15,16)12-10(3)9-17-11(12)8-13/h9H,4-8H2,1-3H3
InChIKeyIRPMAXFBHXHKLU-UHFFFAOYSA-N
MW309.88 g/mol
LogP3.61
Rot. Bonds7

About 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide

2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide (PubChem CID 102750346) has the molecular formula C12H20ClNO2S2 and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide
PubChem CID102750346
Molecular FormulaC12H20ClNO2S2
Molecular Weight309.88 g/mol
Exact Mass309.06
IUPAC Name2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1c(C)csc1CCl
InChIInChI=1S/C12H20ClNO2S2/c1-4-6-14(7-5-2)18(15,16)12-10(3)9-17-11(12)8-13/h9H,4-8H2,1-3H3
InChIKeyIRPMAXFBHXHKLU-UHFFFAOYSA-N
XLogP3.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide?
The IUPAC name of 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide (CID 102750346) is 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide?
The canonical SMILES for 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide is CCCN(CCC)S(=O)(=O)c1c(C)csc1CCl.
What is the InChIKey of 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide?
The InChIKey is IRPMAXFBHXHKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2S2/c1-4-6-14(7-5-2)18(15,16)12-10(3)9-17-11(12)8-13/h9H,4-8H2,1-3H3.
What are the key properties of 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide?
2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide has a molecular weight of 309.88 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methyl-N,N-dipropylthiophene-3-sulfonamide is sourced from PubChem (CID 102750346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).