N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]pyridine-3-sulfonamide

C16H18N2O3S — CID 91631326

IUPACN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]pyridine-3-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2cccnc2)Cc2ccccc2C1
InChIInChI=1S/C16H18N2O3S/c1-21-16(9-13-5-2-3-6-14(13)10-16)12-18-22(19,20)15-7-4-8-17-11-15/h2-8,11,18H,9-10,12H2,1H3
InChIKeyOQAOJWXRVZWWDV-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.54
Rot. Bonds5

About N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]pyridine-3-sulfonamide

N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]pyridine-3-sulfonamide (PubChem CID 91631326) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]pyridine-3-sulfonamide
PubChem CID91631326
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]pyridine-3-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2cccnc2)Cc2ccccc2C1
InChIInChI=1S/C16H18N2O3S/c1-21-16(9-13-5-2-3-6-14(13)10-16)12-18-22(19,20)15-7-4-8-17-11-15/h2-8,11,18H,9-10,12H2,1H3
InChIKeyOQAOJWXRVZWWDV-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]pyridine-3-sulfonamide
CID 90581181
N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720360
N-propylpyridine-3-sulfonamide
CID 43258995
N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 91631210
1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309102
N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 47331342
N-[2-(2-methoxyethylamino)ethyl]pyridine-3-sulfonamide
CID 83038911
methyl 7-(pyridin-3-ylsulfonylamino)heptanoate
CID 87038191
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720795
N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 110865640
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 90581195

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]pyridine-3-sulfonamide (CID 91631326) is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]pyridine-3-sulfonamide is COC1(CNS(=O)(=O)c2cccnc2)Cc2ccccc2C1.
What is the InChIKey of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is OQAOJWXRVZWWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-21-16(9-13-5-2-3-6-14(13)10-16)12-18-22(19,20)15-7-4-8-17-11-15/h2-8,11,18H,9-10,12H2,1H3.
What are the key properties of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]pyridine-3-sulfonamide?
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 318.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 91631326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).