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

C14H17N3O3S — CID 154738926

IUPACN-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide
SMILESCOc1cccc2c1CCC2NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C14H17N3O3S/c1-17-9-10(8-15-17)21(18,19)16-13-7-6-12-11(13)4-3-5-14(12)20-2/h3-5,8-9,13,16H,6-7H2,1-2H3
InChIKeySIHIHSICJUMMCT-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.39
Rot. Bonds4

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

N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide (PubChem CID 154738926) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide
PubChem CID154738926
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide
SMILESCOc1cccc2c1CCC2NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C14H17N3O3S/c1-17-9-10(8-15-17)21(18,19)16-13-7-6-12-11(13)4-3-5-14(12)20-2/h3-5,8-9,13,16H,6-7H2,1-2H3
InChIKeySIHIHSICJUMMCT-UHFFFAOYSA-N
XLogP1.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide
CID 164636562
1-cyclohexyl-N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 99631969
N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide
CID 583390
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine
CID 133361710
N-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 63091008
3-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 110399780
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyrazin-2-amine
CID 133361794
4-chloro-5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylpyridazin-3-one
CID 133361772
(3aS,9bS)-6-methoxy-1,1,3-trimethyl-3a,4,5,9b-tetrahydrobenzo[e]indol-2-one
CID 10730003
(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119317459
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 110399734

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide (CID 154738926) is N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide is COc1cccc2c1CCC2NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is SIHIHSICJUMMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-17-9-10(8-15-17)21(18,19)16-13-7-6-12-11(13)4-3-5-14(12)20-2/h3-5,8-9,13,16H,6-7H2,1-2H3.
What are the key properties of N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide?
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 154738926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).