2,4,6-tribromo-N-[cyclobutyl(cyclopentyl)methyl]benzenesulfonamide

C16H20Br3NO2S — CID 166387257

IUPAC2,4,6-tribromo-N-[cyclobutyl(cyclopentyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NC(C1CCCC1)C1CCC1)c1c(Br)cc(Br)cc1Br
InChIInChI=1S/C16H20Br3NO2S/c17-12-8-13(18)16(14(19)9-12)23(21,22)20-15(11-6-3-7-11)10-4-1-2-5-10/h8-11,15,20H,1-7H2
InChIKeyJXZZIVXPNSXUNQ-UHFFFAOYSA-N
MW530.12 g/mol
LogP5.61
Rot. Bonds5

About 2,4,6-tribromo-N-[cyclobutyl(cyclopentyl)methyl]benzenesulfonamide

2,4,6-tribromo-N-[cyclobutyl(cyclopentyl)methyl]benzenesulfonamide (PubChem CID 166387257) has the molecular formula C16H20Br3NO2S and a molecular weight of 530.12 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[cyclobutyl(cyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-tribromo-N-[cyclobutyl(cyclopentyl)methyl]benzenesulfonamide
PubChem CID166387257
Molecular FormulaC16H20Br3NO2S
Molecular Weight530.12 g/mol
Exact Mass526.88
IUPAC Name2,4,6-tribromo-N-[cyclobutyl(cyclopentyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NC(C1CCCC1)C1CCC1)c1c(Br)cc(Br)cc1Br
InChIInChI=1S/C16H20Br3NO2S/c17-12-8-13(18)16(14(19)9-12)23(21,22)20-15(11-6-3-7-11)10-4-1-2-5-10/h8-11,15,20H,1-7H2
InChIKeyJXZZIVXPNSXUNQ-UHFFFAOYSA-N
XLogP5.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.12
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61479282
2,4,6-tribromo-N-methylbenzenesulfonamide
CID 130548849
2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide
CID 43371478
5-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 65206493
4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide
CID 43258329
2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213586
4,5-dibromo-1-N,2-N-dicyclohexylbenzene-1,2-disulfonamide
CID 12890971
N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide
CID 93453140
5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide
CID 79934766
4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 60640000
4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994006
2,4,6-tribromo-N-(1-cyclopentylethyl)aniline
CID 55200172

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-[cyclobutyl(cyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-tribromo-N-[cyclobutyl(cyclopentyl)methyl]benzenesulfonamide (CID 166387257) is 2,4,6-tribromo-N-[cyclobutyl(cyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-tribromo-N-[cyclobutyl(cyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-tribromo-N-[cyclobutyl(cyclopentyl)methyl]benzenesulfonamide is O=S(=O)(NC(C1CCCC1)C1CCC1)c1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2,4,6-tribromo-N-[cyclobutyl(cyclopentyl)methyl]benzenesulfonamide?
The InChIKey is JXZZIVXPNSXUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Br3NO2S/c17-12-8-13(18)16(14(19)9-12)23(21,22)20-15(11-6-3-7-11)10-4-1-2-5-10/h8-11,15,20H,1-7H2.
What are the key properties of 2,4,6-tribromo-N-[cyclobutyl(cyclopentyl)methyl]benzenesulfonamide?
2,4,6-tribromo-N-[cyclobutyl(cyclopentyl)methyl]benzenesulfonamide has a molecular weight of 530.12 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-[cyclobutyl(cyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 166387257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).