N-(3-bromo-4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide

C16H14BrCl2NO3S — CID 44569553

IUPACN-(3-bromo-4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)c(Br)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14BrCl2NO3S/c1-16(2,24(22,23)12-6-3-10(18)4-7-12)15(21)20-11-5-8-14(19)13(17)9-11/h3-9H,1-2H3,(H,20,21)
InChIKeyWNBYYNNSUGNUKC-UHFFFAOYSA-N
MW451.17 g/mol
LogP4.95
Rot. Bonds4

About N-(3-bromo-4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide

N-(3-bromo-4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide (PubChem CID 44569553) has the molecular formula C16H14BrCl2NO3S and a molecular weight of 451.17 g/mol. Its IUPAC name is N-(3-bromo-4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
PubChem CID44569553
Molecular FormulaC16H14BrCl2NO3S
Molecular Weight451.17 g/mol
Exact Mass448.93
IUPAC NameN-(3-bromo-4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)c(Br)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14BrCl2NO3S/c1-16(2,24(22,23)12-6-3-10(18)4-7-12)15(21)20-11-5-8-14(19)13(17)9-11/h3-9H,1-2H3,(H,20,21)
InChIKeyWNBYYNNSUGNUKC-UHFFFAOYSA-N
XLogP4.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.17
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(3-bromo-4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide (CID 44569553) is N-(3-bromo-4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(3-bromo-4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(3-bromo-4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(Cl)c(Br)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-bromo-4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
The InChIKey is WNBYYNNSUGNUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO3S/c1-16(2,24(22,23)12-6-3-10(18)4-7-12)15(21)20-11-5-8-14(19)13(17)9-11/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(3-bromo-4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide?
N-(3-bromo-4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide has a molecular weight of 451.17 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 44569553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).