N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C19H25N3O2S — CID 90613978

IUPACN-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCCn1ncc2c1CCCC2)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H25N3O2S/c23-25(24,18-10-9-15-5-1-2-6-16(15)13-18)21-11-12-22-19-8-4-3-7-17(19)14-20-22/h9-10,13-14,21H,1-8,11-12H2
InChIKeyXCNICLAFOSRDDF-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.62
Rot. Bonds5

About N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 90613978) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID90613978
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCCn1ncc2c1CCCC2)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H25N3O2S/c23-25(24,18-10-9-15-5-1-2-6-16(15)13-18)21-11-12-22-19-8-4-3-7-17(19)14-20-22/h9-10,13-14,21H,1-8,11-12H2
InChIKeyXCNICLAFOSRDDF-UHFFFAOYSA-N
XLogP2.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613992
3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613926
4-ethoxy-3-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613985
4-methoxy-3,5-dimethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613986
1-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90613922
N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide
CID 90613912
2,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613993
N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39667463
1,3,5-trimethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-sulfonamide
CID 90614074
5-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 90613943
N-(2-pyrrol-1-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110716386
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113081978

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 90613978) is N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(NCCn1ncc2c1CCCC2)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is XCNICLAFOSRDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c23-25(24,18-10-9-15-5-1-2-6-16(15)13-18)21-11-12-22-19-8-4-3-7-17(19)14-20-22/h9-10,13-14,21H,1-8,11-12H2.
What are the key properties of N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 359.50 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 90613978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).