N-[6-(4-bromophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide

C16H14BrNO3S2 — CID 10811597

IUPACN-[6-(4-bromophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1Sc1ccc(Br)cc1)C(=O)CC2
InChIInChI=1S/C16H14BrNO3S2/c1-23(20,21)18-14-8-10-2-7-15(19)13(10)9-16(14)22-12-5-3-11(17)4-6-12/h3-6,8-9,18H,2,7H2,1H3
InChIKeyHPQSHFUISLATPN-UHFFFAOYSA-N
MW412.33 g/mol
LogP4.10
Rot. Bonds4

About N-[6-(4-bromophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide

N-[6-(4-bromophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (PubChem CID 10811597) has the molecular formula C16H14BrNO3S2 and a molecular weight of 412.33 g/mol. Its IUPAC name is N-[6-(4-bromophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(4-bromophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
PubChem CID10811597
Molecular FormulaC16H14BrNO3S2
Molecular Weight412.33 g/mol
Exact Mass410.96
IUPAC NameN-[6-(4-bromophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1Sc1ccc(Br)cc1)C(=O)CC2
InChIInChI=1S/C16H14BrNO3S2/c1-23(20,21)18-14-8-10-2-7-15(19)13(10)9-16(14)22-12-5-3-11(17)4-6-12/h3-6,8-9,18H,2,7H2,1H3
InChIKeyHPQSHFUISLATPN-UHFFFAOYSA-N
XLogP4.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-bromophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The IUPAC name of N-[6-(4-bromophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (CID 10811597) is N-[6-(4-bromophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(4-bromophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The canonical SMILES for N-[6-(4-bromophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is CS(=O)(=O)Nc1cc2c(cc1Sc1ccc(Br)cc1)C(=O)CC2.
What is the InChIKey of N-[6-(4-bromophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The InChIKey is HPQSHFUISLATPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3S2/c1-23(20,21)18-14-8-10-2-7-15(19)13(10)9-16(14)22-12-5-3-11(17)4-6-12/h3-6,8-9,18H,2,7H2,1H3.
What are the key properties of N-[6-(4-bromophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
N-[6-(4-bromophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide has a molecular weight of 412.33 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-bromophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is sourced from PubChem (CID 10811597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).