5-chloro-1,3-dimethyl-N-quinolin-8-ylpyrazole-4-sulfonamide

C14H13ClN4O2S — CID 3781687

IUPAC5-chloro-1,3-dimethyl-N-quinolin-8-ylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C14H13ClN4O2S/c1-9-13(14(15)19(2)17-9)22(20,21)18-11-7-3-5-10-6-4-8-16-12(10)11/h3-8,18H,1-2H3
InChIKeySIATXYBKSYNSMQ-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.73
Rot. Bonds3

About 5-chloro-1,3-dimethyl-N-quinolin-8-ylpyrazole-4-sulfonamide

5-chloro-1,3-dimethyl-N-quinolin-8-ylpyrazole-4-sulfonamide (PubChem CID 3781687) has the molecular formula C14H13ClN4O2S and a molecular weight of 336.80 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-quinolin-8-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-quinolin-8-ylpyrazole-4-sulfonamide
PubChem CID3781687
Molecular FormulaC14H13ClN4O2S
Molecular Weight336.80 g/mol
Exact Mass336.04
IUPAC Name5-chloro-1,3-dimethyl-N-quinolin-8-ylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C14H13ClN4O2S/c1-9-13(14(15)19(2)17-9)22(20,21)18-11-7-3-5-10-6-4-8-16-12(10)11/h3-8,18H,1-2H3
InChIKeySIATXYBKSYNSMQ-UHFFFAOYSA-N
XLogP2.73
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.73
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-quinolin-8-ylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-quinolin-8-ylpyrazole-4-sulfonamide (CID 3781687) is 5-chloro-1,3-dimethyl-N-quinolin-8-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-quinolin-8-ylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-quinolin-8-ylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cccc2cccnc12.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-quinolin-8-ylpyrazole-4-sulfonamide?
The InChIKey is SIATXYBKSYNSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2S/c1-9-13(14(15)19(2)17-9)22(20,21)18-11-7-3-5-10-6-4-8-16-12(10)11/h3-8,18H,1-2H3.
What are the key properties of 5-chloro-1,3-dimethyl-N-quinolin-8-ylpyrazole-4-sulfonamide?
5-chloro-1,3-dimethyl-N-quinolin-8-ylpyrazole-4-sulfonamide has a molecular weight of 336.80 g/mol, XLogP of 2.73, 3 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-quinolin-8-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 3781687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).