3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide

C15H24ClNO3S — CID 82943175

IUPAC3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CCOC)C(C)C)cc1CCl
InChIInChI=1S/C15H24ClNO3S/c1-5-13-6-7-15(10-14(13)11-16)21(18,19)17(12(2)3)8-9-20-4/h6-7,10,12H,5,8-9,11H2,1-4H3
InChIKeyVWZFRTQYNFRNBB-UHFFFAOYSA-N
MW333.88 g/mol
LogP3.03
Rot. Bonds8

About 3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide

3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 82943175) has the molecular formula C15H24ClNO3S and a molecular weight of 333.88 g/mol. Its IUPAC name is 3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID82943175
Molecular FormulaC15H24ClNO3S
Molecular Weight333.88 g/mol
Exact Mass333.12
IUPAC Name3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CCOC)C(C)C)cc1CCl
InChIInChI=1S/C15H24ClNO3S/c1-5-13-6-7-15(10-14(13)11-16)21(18,19)17(12(2)3)8-9-20-4/h6-7,10,12H,5,8-9,11H2,1-4H3
InChIKeyVWZFRTQYNFRNBB-UHFFFAOYSA-N
XLogP3.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.88
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-3-chloro-4-(chloromethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 107091030
3-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82965253
4-chloro-3-(chloromethyl)-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82944052
3-(aminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948850
2,4-dichloro-5-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82944632
3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82959752
3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948814
3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82951128
3-chloro-4-(chloromethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 107091002
2-amino-N-butan-2-yl-N-(2-methoxyethyl)pyridine-4-sulfonamide
CID 62151483
4-chloro-3-(chloromethyl)-5-fluoro-N-propan-2-yl-N-propylbenzenesulfonamide
CID 81457118
2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 82965434

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide (CID 82943175) is 3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide is CCc1ccc(S(=O)(=O)N(CCOC)C(C)C)cc1CCl.
What is the InChIKey of 3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is VWZFRTQYNFRNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3S/c1-5-13-6-7-15(10-14(13)11-16)21(18,19)17(12(2)3)8-9-20-4/h6-7,10,12H,5,8-9,11H2,1-4H3.
What are the key properties of 3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 333.88 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 82943175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).