N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide

C15H15ClN2O2S — CID 79723808

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
SMILESNc1ccc2c(c1)CCC2NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2S/c16-11-2-5-13(6-3-11)21(19,20)18-15-8-1-10-9-12(17)4-7-14(10)15/h2-7,9,15,18H,1,8,17H2
InChIKeyQBFOMLPAACMDTO-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.89
Rot. Bonds3

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide (PubChem CID 79723808) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
PubChem CID79723808
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
SMILESNc1ccc2c(c1)CCC2NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2S/c16-11-2-5-13(6-3-11)21(19,20)18-15-8-1-10-9-12(17)4-7-14(10)15/h2-7,9,15,18H,1,8,17H2
InChIKeyQBFOMLPAACMDTO-UHFFFAOYSA-N
XLogP2.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.89
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)-3-methylbenzenesulfonamide
CID 79723505
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)-4-chloro-2-methylbenzenesulfonamide
CID 120722412
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide
CID 120721939
1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 114811154
1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79724744
1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79725130
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 120722266
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
CID 120722140
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-sulfonamide
CID 116650196
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methyl-4-nitrobenzenesulfonamide
CID 120721988

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide (CID 79723808) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide is Nc1ccc2c(c1)CCC2NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide?
The InChIKey is QBFOMLPAACMDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c16-11-2-5-13(6-3-11)21(19,20)18-15-8-1-10-9-12(17)4-7-14(10)15/h2-7,9,15,18H,1,8,17H2.
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide has a molecular weight of 322.82 g/mol, XLogP of 2.89, 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)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 79723808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).