2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide

C16H18N2O2S — CID 43577802

IUPAC2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide
SMILESCN(C1CCc2ccccc21)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C16H18N2O2S/c1-18(15-11-10-12-6-2-3-7-13(12)15)21(19,20)16-9-5-4-8-14(16)17/h2-9,15H,10-11,17H2,1H3
InChIKeyGYTCIVZOMKHQCO-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.58
Rot. Bonds3

About 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide

2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide (PubChem CID 43577802) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide
PubChem CID43577802
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide
SMILESCN(C1CCc2ccccc21)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C16H18N2O2S/c1-18(15-11-10-12-6-2-3-7-13(12)15)21(19,20)16-9-5-4-8-14(16)17/h2-9,15H,10-11,17H2,1H3
InChIKeyGYTCIVZOMKHQCO-UHFFFAOYSA-N
XLogP2.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301292
2-amino-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266885
5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide
CID 106266202
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102691703
N,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-4-sulfonamide
CID 60958622
N-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43420289
N-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylsulfamoyl]phenyl]acetamide
CID 36581354
N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 42896930
N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide
CID 43575502
4-fluoro-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301214
2-bromo-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 55860528

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide (CID 43577802) is 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide is CN(C1CCc2ccccc21)S(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is GYTCIVZOMKHQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-18(15-11-10-12-6-2-3-7-13(12)15)21(19,20)16-9-5-4-8-14(16)17/h2-9,15H,10-11,17H2,1H3.
What are the key properties of 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide?
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43577802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).