1-(2-chloropyrimidin-4-yl)-N-propylpyrazole-4-sulfonamide

C10H12ClN5O2S — CID 151783115

IUPAC1-(2-chloropyrimidin-4-yl)-N-propylpyrazole-4-sulfonamide
SMILESCCCNS(=O)(=O)c1cnn(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C10H12ClN5O2S/c1-2-4-14-19(17,18)8-6-13-16(7-8)9-3-5-12-10(11)15-9/h3,5-7,14H,2,4H2,1H3
InChIKeyRVAQODJGUYQGTO-UHFFFAOYSA-N
MW301.76 g/mol
LogP1.00
Rot. Bonds5

About 1-(2-chloropyrimidin-4-yl)-N-propylpyrazole-4-sulfonamide

1-(2-chloropyrimidin-4-yl)-N-propylpyrazole-4-sulfonamide (PubChem CID 151783115) has the molecular formula C10H12ClN5O2S and a molecular weight of 301.76 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-4-yl)-N-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-chloropyrimidin-4-yl)-N-propylpyrazole-4-sulfonamide
PubChem CID151783115
Molecular FormulaC10H12ClN5O2S
Molecular Weight301.76 g/mol
Exact Mass301.04
IUPAC Name1-(2-chloropyrimidin-4-yl)-N-propylpyrazole-4-sulfonamide
SMILESCCCNS(=O)(=O)c1cnn(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C10H12ClN5O2S/c1-2-4-14-19(17,18)8-6-13-16(7-8)9-3-5-12-10(11)15-9/h3,5-7,14H,2,4H2,1H3
InChIKeyRVAQODJGUYQGTO-UHFFFAOYSA-N
XLogP1.00
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-4-yl)-N-propylpyrazole-4-sulfonamide?
The IUPAC name of 1-(2-chloropyrimidin-4-yl)-N-propylpyrazole-4-sulfonamide (CID 151783115) is 1-(2-chloropyrimidin-4-yl)-N-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-chloropyrimidin-4-yl)-N-propylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-chloropyrimidin-4-yl)-N-propylpyrazole-4-sulfonamide is CCCNS(=O)(=O)c1cnn(-c2ccnc(Cl)n2)c1.
What is the InChIKey of 1-(2-chloropyrimidin-4-yl)-N-propylpyrazole-4-sulfonamide?
The InChIKey is RVAQODJGUYQGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2S/c1-2-4-14-19(17,18)8-6-13-16(7-8)9-3-5-12-10(11)15-9/h3,5-7,14H,2,4H2,1H3.
What are the key properties of 1-(2-chloropyrimidin-4-yl)-N-propylpyrazole-4-sulfonamide?
1-(2-chloropyrimidin-4-yl)-N-propylpyrazole-4-sulfonamide has a molecular weight of 301.76 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-4-yl)-N-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 151783115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).