5-chloro-1,3-dimethyl-N-(4-propan-2-yloxyphenyl)pyrazole-4-sulfonamide

C14H18ClN3O3S — CID 3604224

IUPAC5-chloro-1,3-dimethyl-N-(4-propan-2-yloxyphenyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H18ClN3O3S/c1-9(2)21-12-7-5-11(6-8-12)17-22(19,20)13-10(3)16-18(4)14(13)15/h5-9,17H,1-4H3
InChIKeyLMVHXQANRWWYSV-UHFFFAOYSA-N
MW343.84 g/mol
LogP2.97
Rot. Bonds5

About 5-chloro-1,3-dimethyl-N-(4-propan-2-yloxyphenyl)pyrazole-4-sulfonamide

5-chloro-1,3-dimethyl-N-(4-propan-2-yloxyphenyl)pyrazole-4-sulfonamide (PubChem CID 3604224) has the molecular formula C14H18ClN3O3S and a molecular weight of 343.84 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-(4-propan-2-yloxyphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-(4-propan-2-yloxyphenyl)pyrazole-4-sulfonamide
PubChem CID3604224
Molecular FormulaC14H18ClN3O3S
Molecular Weight343.84 g/mol
Exact Mass343.08
IUPAC Name5-chloro-1,3-dimethyl-N-(4-propan-2-yloxyphenyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H18ClN3O3S/c1-9(2)21-12-7-5-11(6-8-12)17-22(19,20)13-10(3)16-18(4)14(13)15/h5-9,17H,1-4H3
InChIKeyLMVHXQANRWWYSV-UHFFFAOYSA-N
XLogP2.97
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-(4-propan-2-yloxyphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-(4-propan-2-yloxyphenyl)pyrazole-4-sulfonamide (CID 3604224) is 5-chloro-1,3-dimethyl-N-(4-propan-2-yloxyphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-(4-propan-2-yloxyphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-(4-propan-2-yloxyphenyl)pyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-(4-propan-2-yloxyphenyl)pyrazole-4-sulfonamide?
The InChIKey is LMVHXQANRWWYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3S/c1-9(2)21-12-7-5-11(6-8-12)17-22(19,20)13-10(3)16-18(4)14(13)15/h5-9,17H,1-4H3.
What are the key properties of 5-chloro-1,3-dimethyl-N-(4-propan-2-yloxyphenyl)pyrazole-4-sulfonamide?
5-chloro-1,3-dimethyl-N-(4-propan-2-yloxyphenyl)pyrazole-4-sulfonamide has a molecular weight of 343.84 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-(4-propan-2-yloxyphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 3604224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).