2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride

C13H15BrClNO3S — CID 107176182

IUPAC2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
SMILESCC1CCCC1C(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1
InChIInChI=1S/C13H15BrClNO3S/c1-8-3-2-4-10(8)13(17)16-9-5-6-12(11(14)7-9)20(15,18)19/h5-8,10H,2-4H2,1H3,(H,16,17)
InChIKeyKIRZDUMMUVBPQD-UHFFFAOYSA-N
MW380.69 g/mol
LogP3.75
Rot. Bonds3

About 2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride

2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride (PubChem CID 107176182) has the molecular formula C13H15BrClNO3S and a molecular weight of 380.69 g/mol. Its IUPAC name is 2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
PubChem CID107176182
Molecular FormulaC13H15BrClNO3S
Molecular Weight380.69 g/mol
Exact Mass378.96
IUPAC Name2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
SMILESCC1CCCC1C(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1
InChIInChI=1S/C13H15BrClNO3S/c1-8-3-2-4-10(8)13(17)16-9-5-6-12(11(14)7-9)20(15,18)19/h5-8,10H,2-4H2,1H3,(H,16,17)
InChIKeyKIRZDUMMUVBPQD-UHFFFAOYSA-N
XLogP3.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.69
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride?
The IUPAC name of 2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride (CID 107176182) is 2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride is CC1CCCC1C(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1.
What is the InChIKey of 2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride?
The InChIKey is KIRZDUMMUVBPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO3S/c1-8-3-2-4-10(8)13(17)16-9-5-6-12(11(14)7-9)20(15,18)19/h5-8,10H,2-4H2,1H3,(H,16,17).
What are the key properties of 2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride?
2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride has a molecular weight of 380.69 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 107176182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).