N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C18H26N4O3S — CID 71808434

IUPACN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1nn(C2CCCC2)c2c1CCCC2
InChIInChI=1S/C18H26N4O3S/c1-12-18(13(2)25-21-12)26(23,24)19-11-16-15-9-5-6-10-17(15)22(20-16)14-7-3-4-8-14/h14,19H,3-11H2,1-2H3
InChIKeySGTJMXOEGFJWHS-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.96
Rot. Bonds5

About N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 71808434) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID71808434
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1nn(C2CCCC2)c2c1CCCC2
InChIInChI=1S/C18H26N4O3S/c1-12-18(13(2)25-21-12)26(23,24)19-11-16-15-9-5-6-10-17(15)22(20-16)14-7-3-4-8-14/h14,19H,3-11H2,1-2H3
InChIKeySGTJMXOEGFJWHS-UHFFFAOYSA-N
XLogP2.96
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 71808434) is N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1nn(C2CCCC2)c2c1CCCC2.
What is the InChIKey of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is SGTJMXOEGFJWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-12-18(13(2)25-21-12)26(23,24)19-11-16-15-9-5-6-10-17(15)22(20-16)14-7-3-4-8-14/h14,19H,3-11H2,1-2H3.
What are the key properties of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 378.50 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 71808434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).