4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide

C25H28N4O4S — CID 58550717

IUPAC4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2nn(C)cc23)cc1
InChIInChI=1S/C25H28N4O4S/c1-17(2)27-34(31,32)19-10-8-18(9-11-19)24(30)29-14-12-25(13-15-29)21-16-28(3)26-23(21)20-6-4-5-7-22(20)33-25/h4-11,16-17,27H,12-15H2,1-3H3
InChIKeyJSDJPMWSCYNJEW-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.30
Rot. Bonds4

About 4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide

4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 58550717) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID58550717
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2nn(C)cc23)cc1
InChIInChI=1S/C25H28N4O4S/c1-17(2)27-34(31,32)19-10-8-18(9-11-19)24(30)29-14-12-25(13-15-29)21-16-28(3)26-23(21)20-6-4-5-7-22(20)33-25/h4-11,16-17,27H,12-15H2,1-3H3
InChIKeyJSDJPMWSCYNJEW-UHFFFAOYSA-N
XLogP3.30
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen
CID 157412743
(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 54670933
2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane]
CID 58551045
(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone
CID 58551196
(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 58551678
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 41309315
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 72719196
(3-methoxy-4-propan-2-ylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551201
1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341309
4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 86981341
N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059411

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide (CID 58550717) is 4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2nn(C)cc23)cc1.
What is the InChIKey of 4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is JSDJPMWSCYNJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-17(2)27-34(31,32)19-10-8-18(9-11-19)24(30)29-14-12-25(13-15-29)21-16-28(3)26-23(21)20-6-4-5-7-22(20)33-25/h4-11,16-17,27H,12-15H2,1-3H3.
What are the key properties of 4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide?
4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 480.59 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 58550717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).