3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-5-morpholin-4-ylsulfonylbenzoic acid

C17H19N3O5S — CID 56873030

IUPAC3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-5-morpholin-4-ylsulfonylbenzoic acid
SMILESO=C(O)c1cc(-n2cc3c(n2)CCC3)cc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H19N3O5S/c21-17(22)13-8-14(20-11-12-2-1-3-16(12)18-20)10-15(9-13)26(23,24)19-4-6-25-7-5-19/h8-11H,1-7H2,(H,21,22)
InChIKeyZXZLBSFSRKPLNT-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.08
Rot. Bonds4

About 3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-5-morpholin-4-ylsulfonylbenzoic acid

3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-5-morpholin-4-ylsulfonylbenzoic acid (PubChem CID 56873030) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-5-morpholin-4-ylsulfonylbenzoic acid.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-5-morpholin-4-ylsulfonylbenzoic acid
PubChem CID56873030
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-5-morpholin-4-ylsulfonylbenzoic acid
SMILESO=C(O)c1cc(-n2cc3c(n2)CCC3)cc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H19N3O5S/c21-17(22)13-8-14(20-11-12-2-1-3-16(12)18-20)10-15(9-13)26(23,24)19-4-6-25-7-5-19/h8-11H,1-7H2,(H,21,22)
InChIKeyZXZLBSFSRKPLNT-UHFFFAOYSA-N
XLogP1.08
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylimidazol-1-yl)-5-morpholin-4-ylsulfonylbenzoic acid
CID 56901617
3-(azepan-1-ylsulfonyl)-5-(1,2,4-triazol-1-yl)benzoic acid
CID 56877072
3-(4-methylpyrazol-1-yl)-5-pyrrolidin-1-ylsulfonylbenzoic acid
CID 56879277
3-(3,5-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzoic acid
CID 56865018
3-(3,4-difluorophenyl)-5-morpholin-4-ylsulfonylbenzoic acid
CID 56865955
3-morpholin-4-ylsulfonyl-5-pyrazolo[1,5-a]pyridin-7-ylbenzoic acid
CID 56875686
3-thiomorpholin-4-ylsulfonyl-5-(triazol-1-yl)benzoic acid
CID 56880589
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 55661323
phenyl 3-morpholin-4-ylsulfonylbenzoate
CID 2679267
3-(benzenesulfonyl)-5-morpholin-4-ylbenzoic acid
CID 146173833
3-(azetidin-1-ylsulfonyl)-5-(trifluoromethyl)benzoic acid
CID 70663656
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-thiomorpholin-4-ylsulfonylbenzoic acid
CID 56876667

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-5-morpholin-4-ylsulfonylbenzoic acid?
The IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-5-morpholin-4-ylsulfonylbenzoic acid (CID 56873030) is 3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-5-morpholin-4-ylsulfonylbenzoic acid.
What is the SMILES notation for 3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-5-morpholin-4-ylsulfonylbenzoic acid?
The canonical SMILES for 3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-5-morpholin-4-ylsulfonylbenzoic acid is O=C(O)c1cc(-n2cc3c(n2)CCC3)cc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-5-morpholin-4-ylsulfonylbenzoic acid?
The InChIKey is ZXZLBSFSRKPLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c21-17(22)13-8-14(20-11-12-2-1-3-16(12)18-20)10-15(9-13)26(23,24)19-4-6-25-7-5-19/h8-11H,1-7H2,(H,21,22).
What are the key properties of 3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-5-morpholin-4-ylsulfonylbenzoic acid?
3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-5-morpholin-4-ylsulfonylbenzoic acid has a molecular weight of 377.42 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)-5-morpholin-4-ylsulfonylbenzoic acid is sourced from PubChem (CID 56873030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).