5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide

C15H25ClN2O2S — CID 103192247

IUPAC5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1cc(CCl)ccc1C
InChIInChI=1S/C15H25ClN2O2S/c1-6-18(13(3)11-17(4)5)21(19,20)15-9-14(10-16)8-7-12(15)2/h7-9,13H,6,10-11H2,1-5H3
InChIKeyCSACEUQYNNBRFH-UHFFFAOYSA-N
MW332.90 g/mol
LogP2.69
Rot. Bonds7

About 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide

5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide (PubChem CID 103192247) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
PubChem CID103192247
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC Name5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1cc(CCl)ccc1C
InChIInChI=1S/C15H25ClN2O2S/c1-6-18(13(3)11-17(4)5)21(19,20)15-9-14(10-16)8-7-12(15)2/h7-9,13H,6,10-11H2,1-5H3
InChIKeyCSACEUQYNNBRFH-UHFFFAOYSA-N
XLogP2.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 52.69
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

5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
CID 103187524
5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide
CID 103192253
4-(aminomethyl)-2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103192333
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103190536
3-amino-5-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103187486
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide
CID 61111850
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103190530
2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103188525
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 103192336
2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide
CID 103192203
5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82744473
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
CID 103191041

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide?
The IUPAC name of 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide (CID 103192247) is 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)c1cc(CCl)ccc1C.
What is the InChIKey of 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide?
The InChIKey is CSACEUQYNNBRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2S/c1-6-18(13(3)11-17(4)5)21(19,20)15-9-14(10-16)8-7-12(15)2/h7-9,13H,6,10-11H2,1-5H3.
What are the key properties of 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide?
5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide has a molecular weight of 332.90 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 103192247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).