4-chloro-1-methyl-N-propylpyrazole-5-sulfonamide

C7H12ClN3O2S — CID 106150568

IUPAC4-chloro-1-methyl-N-propylpyrazole-5-sulfonamide
SMILESCCCNS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C7H12ClN3O2S/c1-3-4-10-14(12,13)7-6(8)5-9-11(7)2/h5,10H,3-4H2,1-2H3
InChIKeyZHVQCNIFLGPKEE-UHFFFAOYSA-N
MW237.71 g/mol
LogP0.76
Rot. Bonds4

About 4-chloro-1-methyl-N-propylpyrazole-5-sulfonamide

4-chloro-1-methyl-N-propylpyrazole-5-sulfonamide (PubChem CID 106150568) has the molecular formula C7H12ClN3O2S and a molecular weight of 237.71 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-propylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-propylpyrazole-5-sulfonamide
PubChem CID106150568
Molecular FormulaC7H12ClN3O2S
Molecular Weight237.71 g/mol
Exact Mass237.03
IUPAC Name4-chloro-1-methyl-N-propylpyrazole-5-sulfonamide
SMILESCCCNS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C7H12ClN3O2S/c1-3-4-10-14(12,13)7-6(8)5-9-11(7)2/h5,10H,3-4H2,1-2H3
InChIKeyZHVQCNIFLGPKEE-UHFFFAOYSA-N
XLogP0.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-methyl-1H-pyrazole-3-sulfonyl chloride
CID 84027165
1-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 43258985
4-Chloro-1-methyl-1H-pyrazole-5-sulfonyl chloride
CID 50896671
4-chloro-1-(methoxymethyl)-1H-pyrazole-5-sulfonyl chloride
CID 91654369
2-Ethyl-4-fluoro-pyrazole-3-sulfonamide
CID 146570516
4-chloro-1-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-5-sulfonamide
CID 106314301
4-chloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-methylpyrazole-5-sulfonamide
CID 106316216
4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-sulfonamide
CID 114150453
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-5-sulfonamide
CID 114150466
4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-methylpyrazole-5-sulfonamide
CID 114150483
N-(3-amino-2,2-difluoropropyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 114172506
N-(2-bromoethyl)-4-chloro-N-(2,2-difluoroethyl)-1-methylpyrazole-5-sulfonamide
CID 114172630

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-propylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-1-methyl-N-propylpyrazole-5-sulfonamide (CID 106150568) is 4-chloro-1-methyl-N-propylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-1-methyl-N-propylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-1-methyl-N-propylpyrazole-5-sulfonamide is CCCNS(=O)(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-1-methyl-N-propylpyrazole-5-sulfonamide?
The InChIKey is ZHVQCNIFLGPKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O2S/c1-3-4-10-14(12,13)7-6(8)5-9-11(7)2/h5,10H,3-4H2,1-2H3.
What are the key properties of 4-chloro-1-methyl-N-propylpyrazole-5-sulfonamide?
4-chloro-1-methyl-N-propylpyrazole-5-sulfonamide has a molecular weight of 237.71 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-propylpyrazole-5-sulfonamide is sourced from PubChem (CID 106150568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).