(3-chlorophenyl)-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methanone

C16H18ClN3O4S — CID 7216888

IUPAC(3-chlorophenyl)-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methanone
SMILESCc1nn(C(=O)c2cccc(Cl)c2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H18ClN3O4S/c1-11-15(25(22,23)19-6-8-24-9-7-19)12(2)20(18-11)16(21)13-4-3-5-14(17)10-13/h3-5,10H,6-9H2,1-2H3
InChIKeyUDOQQROQIQIZHH-UHFFFAOYSA-N
MW383.86 g/mol
LogP1.86
Rot. Bonds3

About (3-chlorophenyl)-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methanone

(3-chlorophenyl)-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methanone (PubChem CID 7216888) has the molecular formula C16H18ClN3O4S and a molecular weight of 383.86 g/mol. Its IUPAC name is (3-chlorophenyl)-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methanone
PubChem CID7216888
Molecular FormulaC16H18ClN3O4S
Molecular Weight383.86 g/mol
Exact Mass383.07
IUPAC Name(3-chlorophenyl)-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methanone
SMILESCc1nn(C(=O)c2cccc(Cl)c2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H18ClN3O4S/c1-11-15(25(22,23)19-6-8-24-9-7-19)12(2)20(18-11)16(21)13-4-3-5-14(17)10-13/h3-5,10H,6-9H2,1-2H3
InChIKeyUDOQQROQIQIZHH-UHFFFAOYSA-N
XLogP1.86
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methanone (CID 7216888) is (3-chlorophenyl)-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methanone is Cc1nn(C(=O)c2cccc(Cl)c2)c(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (3-chlorophenyl)-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methanone?
The InChIKey is UDOQQROQIQIZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S/c1-11-15(25(22,23)19-6-8-24-9-7-19)12(2)20(18-11)16(21)13-4-3-5-14(17)10-13/h3-5,10H,6-9H2,1-2H3.
What are the key properties of (3-chlorophenyl)-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methanone?
(3-chlorophenyl)-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methanone has a molecular weight of 383.86 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methanone is sourced from PubChem (CID 7216888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).