2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine

C16H16BrNO2S — CID 64647447

IUPAC2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO2S/c1-18-16-14-5-3-2-4-11(14)10-15(16)21(19,20)13-8-6-12(17)7-9-13/h2-9,15-16,18H,10H2,1H3
InChIKeyCGRUMNAYUYHATO-UHFFFAOYSA-N
MW366.28 g/mol
LogP3.11
Rot. Bonds3

About 2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine

2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 64647447) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID64647447
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC Name2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO2S/c1-18-16-14-5-3-2-4-11(14)10-15(16)21(19,20)13-8-6-12(17)7-9-13/h2-9,15-16,18H,10H2,1H3
InChIKeyCGRUMNAYUYHATO-UHFFFAOYSA-N
XLogP3.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 64647447) is 2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1c2ccccc2CC1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CGRUMNAYUYHATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c1-18-16-14-5-3-2-4-11(14)10-15(16)21(19,20)13-8-6-12(17)7-9-13/h2-9,15-16,18H,10H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 366.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64647447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).