3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide

C18H22N4O3S — CID 110405556

IUPAC3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)C1(CCCCC1)C(=O)N2
InChIInChI=1S/C18H22N4O3S/c1-11-16(12(2)21-20-11)26(24,25)22-13-6-7-15-14(10-13)18(17(23)19-15)8-4-3-5-9-18/h6-7,10,22H,3-5,8-9H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyCISANPXRLYFJNB-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.98
Rot. Bonds3

About 3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 110405556) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide
PubChem CID110405556
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)C1(CCCCC1)C(=O)N2
InChIInChI=1S/C18H22N4O3S/c1-11-16(12(2)21-20-11)26(24,25)22-13-6-7-15-14(10-13)18(17(23)19-15)8-4-3-5-9-18/h6-7,10,22H,3-5,8-9H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyCISANPXRLYFJNB-UHFFFAOYSA-N
XLogP2.98
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide (CID 110405556) is 3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)C1(CCCCC1)C(=O)N2.
What is the InChIKey of 3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is CISANPXRLYFJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-11-16(12(2)21-20-11)26(24,25)22-13-6-7-15-14(10-13)18(17(23)19-15)8-4-3-5-9-18/h6-7,10,22H,3-5,8-9H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of 3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 374.47 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110405556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).