N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide

C16H18N2O2S — CID 79723505

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2CCc3cc(N)ccc32)c1
InChIInChI=1S/C16H18N2O2S/c1-11-3-2-4-14(9-11)21(19,20)18-16-8-5-12-10-13(17)6-7-15(12)16/h2-4,6-7,9-10,16,18H,5,8,17H2,1H3
InChIKeyYZRAQHZFDNKZJY-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.54
Rot. Bonds3

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide (PubChem CID 79723505) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide
PubChem CID79723505
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2CCc3cc(N)ccc32)c1
InChIInChI=1S/C16H18N2O2S/c1-11-3-2-4-14(9-11)21(19,20)18-16-8-5-12-10-13(17)6-7-15(12)16/h2-4,6-7,9-10,16,18H,5,8,17H2,1H3
InChIKeyYZRAQHZFDNKZJY-UHFFFAOYSA-N
XLogP2.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide
CID 79723350
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
CID 79723808
N-[3-[(5-methyl-2,3-dihydro-1H-inden-1-yl)sulfamoyl]phenyl]acetamide
CID 167954905
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 120721935
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methyl-4-nitrobenzenesulfonamide
CID 120721988
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
CID 120722095
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4,6-trimethylbenzenesulfonamide
CID 120722170
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722353
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 120722173
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-sulfonamide
CID 116650196
N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-3-methylbenzenesulfonamide
CID 110399985
1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 114811154

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide (CID 79723505) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NC2CCc3cc(N)ccc32)c1.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide?
The InChIKey is YZRAQHZFDNKZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-3-2-4-14(9-11)21(19,20)18-16-8-5-12-10-13(17)6-7-15(12)16/h2-4,6-7,9-10,16,18H,5,8,17H2,1H3.
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 79723505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).