N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxypyridine-3-sulfonamide

C16H18N2O3S — CID 167932143

IUPACN-(2,3-dihydro-1H-inden-2-yl)-4-ethoxypyridine-3-sulfonamide
SMILESCCOc1ccncc1S(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C16H18N2O3S/c1-2-21-15-7-8-17-11-16(15)22(19,20)18-14-9-12-5-3-4-6-13(12)10-14/h3-8,11,14,18H,2,9-10H2,1H3
InChIKeyYFDIOYPUKDJVJT-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.93
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxypyridine-3-sulfonamide

N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxypyridine-3-sulfonamide (PubChem CID 167932143) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-4-ethoxypyridine-3-sulfonamide
PubChem CID167932143
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-4-ethoxypyridine-3-sulfonamide
SMILESCCOc1ccncc1S(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C16H18N2O3S/c1-2-21-15-7-8-17-11-16(15)22(19,20)18-14-9-12-5-3-4-6-13(12)10-14/h3-8,11,14,18H,2,9-10H2,1H3
InChIKeyYFDIOYPUKDJVJT-UHFFFAOYSA-N
XLogP1.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxypyridine-3-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxypyridine-3-sulfonamide (CID 167932143) is N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxypyridine-3-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxypyridine-3-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxypyridine-3-sulfonamide is CCOc1ccncc1S(=O)(=O)NC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxypyridine-3-sulfonamide?
The InChIKey is YFDIOYPUKDJVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-2-21-15-7-8-17-11-16(15)22(19,20)18-14-9-12-5-3-4-6-13(12)10-14/h3-8,11,14,18H,2,9-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxypyridine-3-sulfonamide?
N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxypyridine-3-sulfonamide has a molecular weight of 318.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxypyridine-3-sulfonamide is sourced from PubChem (CID 167932143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).