2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide

C15H15Br2NO2S — CID 61073522

IUPAC2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H15Br2NO2S/c1-11(10-12-6-8-13(16)9-7-12)18-21(19,20)15-5-3-2-4-14(15)17/h2-9,11,18H,10H2,1H3
InChIKeyFPBCGZCEWDVKIA-UHFFFAOYSA-N
MW433.17 g/mol
LogP4.12
Rot. Bonds5

About 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide

2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide (PubChem CID 61073522) has the molecular formula C15H15Br2NO2S and a molecular weight of 433.17 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide
PubChem CID61073522
Molecular FormulaC15H15Br2NO2S
Molecular Weight433.17 g/mol
Exact Mass430.92
IUPAC Name2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H15Br2NO2S/c1-11(10-12-6-8-13(16)9-7-12)18-21(19,20)15-5-3-2-4-14(15)17/h2-9,11,18H,10H2,1H3
InChIKeyFPBCGZCEWDVKIA-UHFFFAOYSA-N
XLogP4.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.17
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide
CID 94145530
2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 3753439
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
CID 26944075
2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 115662781
2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 94227411
2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012265
2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25043542
2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline
CID 114081198
2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 61384326
N-benzhydryl-2-bromobenzenesulfonamide
CID 7938199
2-bromo-N-methylbenzenesulfonamide
CID 850141
2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817630

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide (CID 61073522) is 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide is CC(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide?
The InChIKey is FPBCGZCEWDVKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2S/c1-11(10-12-6-8-13(16)9-7-12)18-21(19,20)15-5-3-2-4-14(15)17/h2-9,11,18H,10H2,1H3.
What are the key properties of 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide?
2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide has a molecular weight of 433.17 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 61073522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).