3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propane-1-sulfonamide

C10H18ClN3O2S — CID 112671892

IUPAC3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propane-1-sulfonamide
SMILESCCc1nn(C)cc1CNS(=O)(=O)CCCCl
InChIInChI=1S/C10H18ClN3O2S/c1-3-10-9(8-14(2)13-10)7-12-17(15,16)6-4-5-11/h8,12H,3-7H2,1-2H3
InChIKeyISSZRLPIPBXAIZ-UHFFFAOYSA-N
MW279.79 g/mol
LogP1.03
Rot. Bonds7

About 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propane-1-sulfonamide

3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propane-1-sulfonamide (PubChem CID 112671892) has the molecular formula C10H18ClN3O2S and a molecular weight of 279.79 g/mol. Its IUPAC name is 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propane-1-sulfonamide
PubChem CID112671892
Molecular FormulaC10H18ClN3O2S
Molecular Weight279.79 g/mol
Exact Mass279.08
IUPAC Name3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propane-1-sulfonamide
SMILESCCc1nn(C)cc1CNS(=O)(=O)CCCCl
InChIInChI=1S/C10H18ClN3O2S/c1-3-10-9(8-14(2)13-10)7-12-17(15,16)6-4-5-11/h8,12H,3-7H2,1-2H3
InChIKeyISSZRLPIPBXAIZ-UHFFFAOYSA-N
XLogP1.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115885692
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 115990626
2-tert-butylsulfonyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 103893977
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-imidazole-5-sulfonamide
CID 112550104
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide
CID 112672097
4-amino-3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 115990672
5-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106077299
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 115991442
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 112549539
2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 106546673
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline
CID 115989506

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propane-1-sulfonamide (CID 112671892) is 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propane-1-sulfonamide is CCc1nn(C)cc1CNS(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propane-1-sulfonamide?
The InChIKey is ISSZRLPIPBXAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2S/c1-3-10-9(8-14(2)13-10)7-12-17(15,16)6-4-5-11/h8,12H,3-7H2,1-2H3.
What are the key properties of 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propane-1-sulfonamide?
3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propane-1-sulfonamide has a molecular weight of 279.79 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 112671892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).