4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline

C11H15BrClNO2S — CID 107619790

IUPAC4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline
SMILESCC(C)S(=O)(=O)CCNc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H15BrClNO2S/c1-8(2)17(15,16)6-5-14-9-3-4-10(12)11(13)7-9/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyUGVUHOYYKNTIFW-UHFFFAOYSA-N
MW340.67 g/mol
LogP3.34
Rot. Bonds5

About 4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline

4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline (PubChem CID 107619790) has the molecular formula C11H15BrClNO2S and a molecular weight of 340.67 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline
PubChem CID107619790
Molecular FormulaC11H15BrClNO2S
Molecular Weight340.67 g/mol
Exact Mass338.97
IUPAC Name4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline
SMILESCC(C)S(=O)(=O)CCNc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H15BrClNO2S/c1-8(2)17(15,16)6-5-14-9-3-4-10(12)11(13)7-9/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyUGVUHOYYKNTIFW-UHFFFAOYSA-N
XLogP3.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.67
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723660
4-bromo-3-chloro-N-(2-methylpropyl)aniline
CID 83326794
4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline
CID 114250217
4-bromo-3-chloro-N-(2-methoxyethyl)aniline
CID 107619929
2-(3-chloro-4-methylanilino)ethanesulfonamide
CID 114384702
4-bromo-3-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]aniline
CID 107620057
2-chloro-6-fluoro-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106724550
4-ethoxy-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106722923
4-(difluoromethoxy)-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723179
3-(2-propan-2-ylsulfonylethylamino)benzamide
CID 114003703
N-(2-tert-butylsulfonylethyl)-3,4-dichloroaniline
CID 106723040
3-ethoxy-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723469

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline?
The IUPAC name of 4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline (CID 107619790) is 4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline.
What is the SMILES notation for 4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline?
The canonical SMILES for 4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline is CC(C)S(=O)(=O)CCNc1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline?
The InChIKey is UGVUHOYYKNTIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2S/c1-8(2)17(15,16)6-5-14-9-3-4-10(12)11(13)7-9/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline?
4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline has a molecular weight of 340.67 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline is sourced from PubChem (CID 107619790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).