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

C15H15ClN2O2S — CID 107843564

IUPAC5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)NC2Cc3ccccc3C2)c1
InChIInChI=1S/C15H15ClN2O2S/c16-14-6-5-12(17)9-15(14)21(19,20)18-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13,18H,7-8,17H2
InChIKeyMFFMQZHVNHSPQS-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.37
Rot. Bonds3

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

5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide (PubChem CID 107843564) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
PubChem CID107843564
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)NC2Cc3ccccc3C2)c1
InChIInChI=1S/C15H15ClN2O2S/c16-14-6-5-12(17)9-15(14)21(19,20)18-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13,18H,7-8,17H2
InChIKeyMFFMQZHVNHSPQS-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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

5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64740102
3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 107854598
5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64909057
4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 113474918
3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 2823472
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
2-(sulfamoylamino)-2,3-dihydro-1H-indene
CID 45117541
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide
CID 107843583
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chlorobenzenesulfonamide
CID 43102600
4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373446
5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106250243
4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467087

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide (CID 107843564) is 5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide is Nc1ccc(Cl)c(S(=O)(=O)NC2Cc3ccccc3C2)c1.
What is the InChIKey of 5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide?
The InChIKey is MFFMQZHVNHSPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c16-14-6-5-12(17)9-15(14)21(19,20)18-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13,18H,7-8,17H2.
What are the key properties of 5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide?
5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide has a molecular weight of 322.82 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide is sourced from PubChem (CID 107843564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).