4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide

C15H15Br2NO2S — CID 60639517

IUPAC4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)c2ccccc2Br)ccc1Br
InChIInChI=1S/C15H15Br2NO2S/c1-10-9-12(7-8-14(10)16)21(19,20)18-11(2)13-5-3-4-6-15(13)17/h3-9,11,18H,1-2H3
InChIKeyLQDLRAXPZYATJZ-UHFFFAOYSA-N
MW433.17 g/mol
LogP4.56
Rot. Bonds4

About 4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide

4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide (PubChem CID 60639517) has the molecular formula C15H15Br2NO2S and a molecular weight of 433.17 g/mol. Its IUPAC name is 4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide
PubChem CID60639517
Molecular FormulaC15H15Br2NO2S
Molecular Weight433.17 g/mol
Exact Mass430.92
IUPAC Name4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)c2ccccc2Br)ccc1Br
InChIInChI=1S/C15H15Br2NO2S/c1-10-9-12(7-8-14(10)16)21(19,20)18-11(2)13-5-3-4-6-15(13)17/h3-9,11,18H,1-2H3
InChIKeyLQDLRAXPZYATJZ-UHFFFAOYSA-N
XLogP4.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.17
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 55681681
4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 42998950
4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61111771
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81397801
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 60723660
4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844268
N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide
CID 81397530
2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61111772
4-bromo-N-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-methylbenzenesulfonamide
CID 41022522
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide (CID 60639517) is 4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)c2ccccc2Br)ccc1Br.
What is the InChIKey of 4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide?
The InChIKey is LQDLRAXPZYATJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2S/c1-10-9-12(7-8-14(10)16)21(19,20)18-11(2)13-5-3-4-6-15(13)17/h3-9,11,18H,1-2H3.
What are the key properties of 4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide?
4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide has a molecular weight of 433.17 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 60639517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).