N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide

C18H21NO2S2 — CID 91354078

IUPACN-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1C2CCC1Cc1ccccc1C2)c1cccs1
InChIInChI=1S/C18H21NO2S2/c20-23(21,18-6-3-9-22-18)19-12-17-15-7-8-16(17)11-14-5-2-1-4-13(14)10-15/h1-6,9,15-17,19H,7-8,10-12H2
InChIKeyFVZPOYJNFJVXOI-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.47
Rot. Bonds4

About N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide

N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide (PubChem CID 91354078) has the molecular formula C18H21NO2S2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide
PubChem CID91354078
Molecular FormulaC18H21NO2S2
Molecular Weight347.50 g/mol
Exact Mass347.10
IUPAC NameN-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1C2CCC1Cc1ccccc1C2)c1cccs1
InChIInChI=1S/C18H21NO2S2/c20-23(21,18-6-3-9-22-18)19-12-17-15-7-8-16(17)11-14-5-2-1-4-13(14)10-15/h1-6,9,15-17,19H,7-8,10-12H2
InChIKeyFVZPOYJNFJVXOI-UHFFFAOYSA-N
XLogP3.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 114147059
N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide
CID 66006317
N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 114295389
N-(14-tetracyclo[8.3.1.02,13.03,8]tetradeca-3,5,7-trienyl)thiophene-2-sulfonamide
CID 91599372
N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
CID 131702793
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 110737130
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
N-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide
CID 114294509
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 16919844
N-(dicyclopropylmethyl)thiophene-2-sulfonamide
CID 31846779
N-[[5-(2,3-dihydroindol-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]thiophene-2-sulfonamide
CID 74736107
N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97274825

Frequently Asked Questions

What is the IUPAC name of N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide (CID 91354078) is N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCC1C2CCC1Cc1ccccc1C2)c1cccs1.
What is the InChIKey of N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide?
The InChIKey is FVZPOYJNFJVXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S2/c20-23(21,18-6-3-9-22-18)19-12-17-15-7-8-16(17)11-14-5-2-1-4-13(14)10-15/h1-6,9,15-17,19H,7-8,10-12H2.
What are the key properties of N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide?
N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide has a molecular weight of 347.50 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 91354078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).