5-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazole-4-sulfonamide

C13H19ClN4O2S2 — CID 70736780

IUPAC5-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazole-4-sulfonamide
SMILESCc1nc(C(C)N(C)S(=O)(=O)c2c(C)nn(C)c2Cl)c(C)s1
InChIInChI=1S/C13H19ClN4O2S2/c1-7-12(13(14)17(5)16-7)22(19,20)18(6)8(2)11-9(3)21-10(4)15-11/h8H,1-6H3
InChIKeySVRJNTNASZWUTD-UHFFFAOYSA-N
MW362.91 g/mol
LogP2.84
Rot. Bonds4

About 5-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazole-4-sulfonamide

5-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazole-4-sulfonamide (PubChem CID 70736780) has the molecular formula C13H19ClN4O2S2 and a molecular weight of 362.91 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazole-4-sulfonamide
PubChem CID70736780
Molecular FormulaC13H19ClN4O2S2
Molecular Weight362.91 g/mol
Exact Mass362.06
IUPAC Name5-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazole-4-sulfonamide
SMILESCc1nc(C(C)N(C)S(=O)(=O)c2c(C)nn(C)c2Cl)c(C)s1
InChIInChI=1S/C13H19ClN4O2S2/c1-7-12(13(14)17(5)16-7)22(19,20)18(6)8(2)11-9(3)21-10(4)15-11/h8H,1-6H3
InChIKeySVRJNTNASZWUTD-UHFFFAOYSA-N
XLogP2.84
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazole-4-sulfonamide (CID 70736780) is 5-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazole-4-sulfonamide is Cc1nc(C(C)N(C)S(=O)(=O)c2c(C)nn(C)c2Cl)c(C)s1.
What is the InChIKey of 5-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazole-4-sulfonamide?
The InChIKey is SVRJNTNASZWUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2S2/c1-7-12(13(14)17(5)16-7)22(19,20)18(6)8(2)11-9(3)21-10(4)15-11/h8H,1-6H3.
What are the key properties of 5-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazole-4-sulfonamide?
5-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazole-4-sulfonamide has a molecular weight of 362.91 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 70736780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).