5-chloro-1,3-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrazole-4-sulfonamide

C12H21ClN4O3S — CID 95215739

IUPAC5-chloro-1,3-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NCC[C@@H]1CN(C)CCO1
InChIInChI=1S/C12H21ClN4O3S/c1-9-11(12(13)17(3)15-9)21(18,19)14-5-4-10-8-16(2)6-7-20-10/h10,14H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyVSAWOIWHFBVWJH-SNVBAGLBSA-N
MW336.85 g/mol
LogP0.38
Rot. Bonds5

About 5-chloro-1,3-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrazole-4-sulfonamide

5-chloro-1,3-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrazole-4-sulfonamide (PubChem CID 95215739) has the molecular formula C12H21ClN4O3S and a molecular weight of 336.85 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrazole-4-sulfonamide
PubChem CID95215739
Molecular FormulaC12H21ClN4O3S
Molecular Weight336.85 g/mol
Exact Mass336.10
IUPAC Name5-chloro-1,3-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NCC[C@@H]1CN(C)CCO1
InChIInChI=1S/C12H21ClN4O3S/c1-9-11(12(13)17(3)15-9)21(18,19)14-5-4-10-8-16(2)6-7-20-10/h10,14H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyVSAWOIWHFBVWJH-SNVBAGLBSA-N
XLogP0.38
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrazole-4-sulfonamide (CID 95215739) is 5-chloro-1,3-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)NCC[C@@H]1CN(C)CCO1.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrazole-4-sulfonamide?
The InChIKey is VSAWOIWHFBVWJH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21ClN4O3S/c1-9-11(12(13)17(3)15-9)21(18,19)14-5-4-10-8-16(2)6-7-20-10/h10,14H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of 5-chloro-1,3-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrazole-4-sulfonamide?
5-chloro-1,3-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrazole-4-sulfonamide has a molecular weight of 336.85 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 95215739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).