2,5-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]benzenesulfonamide

C12H13Cl2N3O2S — CID 22207837

IUPAC2,5-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCCn1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H13Cl2N3O2S/c1-2-17-6-5-10(16-17)8-15-20(18,19)12-7-9(13)3-4-11(12)14/h3-7,15H,2,8H2,1H3
InChIKeyPIPFDPZJJFUGAI-UHFFFAOYSA-N
MW334.23 g/mol
LogP2.69
Rot. Bonds5

About 2,5-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]benzenesulfonamide

2,5-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 22207837) has the molecular formula C12H13Cl2N3O2S and a molecular weight of 334.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID22207837
Molecular FormulaC12H13Cl2N3O2S
Molecular Weight334.23 g/mol
Exact Mass333.01
IUPAC Name2,5-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCCn1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H13Cl2N3O2S/c1-2-17-6-5-10(16-17)8-15-20(18,19)12-7-9(13)3-4-11(12)14/h3-7,15H,2,8H2,1H3
InChIKeyPIPFDPZJJFUGAI-UHFFFAOYSA-N
XLogP2.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]benzenesulfonamide (CID 22207837) is 2,5-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]benzenesulfonamide is CCn1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2,5-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is PIPFDPZJJFUGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2S/c1-2-17-6-5-10(16-17)8-15-20(18,19)12-7-9(13)3-4-11(12)14/h3-7,15H,2,8H2,1H3.
What are the key properties of 2,5-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]benzenesulfonamide?
2,5-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 334.23 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 22207837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).