N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide

C14H13BrClNO2S — CID 80686183

IUPACN-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H13BrClNO2S/c15-13-10-12(6-7-14(13)16)17-20(18,19)9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
InChIKeyJTKKEDSZRIOFSH-UHFFFAOYSA-N
MW374.69 g/mol
LogP4.09
Rot. Bonds5

About N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide

N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide (PubChem CID 80686183) has the molecular formula C14H13BrClNO2S and a molecular weight of 374.69 g/mol. Its IUPAC name is N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
PubChem CID80686183
Molecular FormulaC14H13BrClNO2S
Molecular Weight374.69 g/mol
Exact Mass372.95
IUPAC NameN-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H13BrClNO2S/c15-13-10-12(6-7-14(13)16)17-20(18,19)9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
InChIKeyJTKKEDSZRIOFSH-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide
CID 80685966
N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide
CID 112987053
N-(2-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
CID 80970637
N-(3-bromo-4-chlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114141645
N-(3-iodophenyl)-2-phenylethanesulfonamide
CID 47309570
N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide
CID 39395711
N-[6-(2-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018483
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide
CID 81245009
N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide
CID 110724401
2-phenyl-N-thiophen-3-ylethanesulfonamide
CID 71991634
N-(6-amino-3-pyridinyl)-2-phenylethanesulfonamide
CID 60792395

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide (CID 80686183) is N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)Nc1ccc(Cl)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide?
The InChIKey is JTKKEDSZRIOFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2S/c15-13-10-12(6-7-14(13)16)17-20(18,19)9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2.
What are the key properties of N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide?
N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide has a molecular weight of 374.69 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 80686183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).