2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

C13H17BrF2N2O2S — CID 79117967

IUPAC2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(NS(=O)(=O)c2c(F)cc(F)cc2Br)CC1
InChIInChI=1S/C13H17BrF2N2O2S/c1-17-9-2-4-10(5-3-9)18-21(19,20)13-11(14)6-8(15)7-12(13)16/h6-7,9-10,17-18H,2-5H2,1H3
InChIKeyHZWGOBVPJGWGGL-UHFFFAOYSA-N
MW383.26 g/mol
LogP2.54
Rot. Bonds4

About 2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (PubChem CID 79117967) has the molecular formula C13H17BrF2N2O2S and a molecular weight of 383.26 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
PubChem CID79117967
Molecular FormulaC13H17BrF2N2O2S
Molecular Weight383.26 g/mol
Exact Mass382.02
IUPAC Name2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(NS(=O)(=O)c2c(F)cc(F)cc2Br)CC1
InChIInChI=1S/C13H17BrF2N2O2S/c1-17-9-2-4-10(5-3-9)18-21(19,20)13-11(14)6-8(15)7-12(13)16/h6-7,9-10,17-18H,2-5H2,1H3
InChIKeyHZWGOBVPJGWGGL-UHFFFAOYSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1,1-dioxothian-4-yl)-4,6-difluorobenzenesulfonamide
CID 60824231
2-bromo-N-(1,1-dioxothian-3-yl)-4,6-difluorobenzenesulfonamide
CID 63924568
1-(2-bromo-4,6-difluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300442
2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide
CID 54881709
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64817397
2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
CID 61217293
2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83022882
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4,6-difluorobenzenesulfonamide
CID 66196344
2-bromo-N-[2-(dimethylamino)-3-methylbutyl]-4,6-difluorobenzenesulfonamide
CID 60716587
N-cyclopropyl-3,5-difluorobenzenesulfonamide
CID 60648847
2-bromo-4,6-difluorobenzenesulfonyl fluoride
CID 99939039
2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913911

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (CID 79117967) is 2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is CNC1CCC(NS(=O)(=O)c2c(F)cc(F)cc2Br)CC1.
What is the InChIKey of 2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The InChIKey is HZWGOBVPJGWGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF2N2O2S/c1-17-9-2-4-10(5-3-9)18-21(19,20)13-11(14)6-8(15)7-12(13)16/h6-7,9-10,17-18H,2-5H2,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide has a molecular weight of 383.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 79117967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).