6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide

C10H16ClN3O2S — CID 103341349

IUPAC6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(CCCl)c1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C10H16ClN3O2S/c1-13(2)17(15,16)9-4-5-10(12-8-9)14(3)7-6-11/h4-5,8H,6-7H2,1-3H3
InChIKeyVVCBKRFFSBZFJT-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.01
Rot. Bonds5

About 6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide

6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 103341349) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is 6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID103341349
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(CCCl)c1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C10H16ClN3O2S/c1-13(2)17(15,16)9-4-5-10(12-8-9)14(3)7-6-11/h4-5,8H,6-7H2,1-3H3
InChIKeyVVCBKRFFSBZFJT-UHFFFAOYSA-N
XLogP1.01
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide (CID 103341349) is 6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide is CN(CCCl)c1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of 6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is VVCBKRFFSBZFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-13(2)17(15,16)9-4-5-10(12-8-9)14(3)7-6-11/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 277.78 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 103341349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).