2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide

C11H18ClNO3S2 — CID 82965434

IUPAC2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1ccsc1CCl
InChIInChI=1S/C11H18ClNO3S2/c1-9(2)13(5-6-16-3)18(14,15)11-4-7-17-10(11)8-12/h4,7,9H,5-6,8H2,1-3H3
InChIKeyHRIRTNWIWCIHIK-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.53
Rot. Bonds7

About 2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide

2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide (PubChem CID 82965434) has the molecular formula C11H18ClNO3S2 and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide
PubChem CID82965434
Molecular FormulaC11H18ClNO3S2
Molecular Weight311.86 g/mol
Exact Mass311.04
IUPAC Name2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1ccsc1CCl
InChIInChI=1S/C11H18ClNO3S2/c1-9(2)13(5-6-16-3)18(14,15)11-4-7-17-10(11)8-12/h4,7,9H,5-6,8H2,1-3H3
InChIKeyHRIRTNWIWCIHIK-UHFFFAOYSA-N
XLogP2.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-5-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82944632
3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61060900
2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 82949234
3-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82965253
N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide
CID 102750576
2-bromo-5-(chloromethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 114363699
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948468
5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 82948618
3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82943175
4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 102931550
methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate
CID 102920579
2-amino-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948431

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide?
The IUPAC name of 2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide (CID 82965434) is 2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide?
The canonical SMILES for 2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide is COCCN(C(C)C)S(=O)(=O)c1ccsc1CCl.
What is the InChIKey of 2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide?
The InChIKey is HRIRTNWIWCIHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO3S2/c1-9(2)13(5-6-16-3)18(14,15)11-4-7-17-10(11)8-12/h4,7,9H,5-6,8H2,1-3H3.
What are the key properties of 2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide?
2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide has a molecular weight of 311.86 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide is sourced from PubChem (CID 82965434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).