N-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide

C17H16BrNO3S — CID 170307652

IUPACN-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide
SMILESCc1coc2ccc(S(=O)(=O)NC(C)c3cccc(Br)c3)cc12
InChIInChI=1S/C17H16BrNO3S/c1-11-10-22-17-7-6-15(9-16(11)17)23(20,21)19-12(2)13-4-3-5-14(18)8-13/h3-10,12,19H,1-2H3
InChIKeyBBKQGZLJSRSLKO-UHFFFAOYSA-N
MW394.29 g/mol
LogP4.54
Rot. Bonds4

About N-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide

N-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide (PubChem CID 170307652) has the molecular formula C17H16BrNO3S and a molecular weight of 394.29 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide
PubChem CID170307652
Molecular FormulaC17H16BrNO3S
Molecular Weight394.29 g/mol
Exact Mass393.00
IUPAC NameN-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide
SMILESCc1coc2ccc(S(=O)(=O)NC(C)c3cccc(Br)c3)cc12
InChIInChI=1S/C17H16BrNO3S/c1-11-10-22-17-7-6-15(9-16(11)17)23(20,21)19-12(2)13-4-3-5-14(18)8-13/h3-10,12,19H,1-2H3
InChIKeyBBKQGZLJSRSLKO-UHFFFAOYSA-N
XLogP4.54
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 43874223
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 28560356
N-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 28560380
4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 42998950
2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 63420635
4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 61125800
3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111104
5-[1-(3-acetylphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 170307603
4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43701897
5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 170307561
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 60639559

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide (CID 170307652) is N-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide is Cc1coc2ccc(S(=O)(=O)NC(C)c3cccc(Br)c3)cc12.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide?
The InChIKey is BBKQGZLJSRSLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO3S/c1-11-10-22-17-7-6-15(9-16(11)17)23(20,21)19-12(2)13-4-3-5-14(18)8-13/h3-10,12,19H,1-2H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide?
N-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide has a molecular weight of 394.29 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 170307652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).