2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide

C13H16BrF2NO3S — CID 64913911

IUPAC2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C13H16BrF2NO3S/c14-10-5-9(15)6-11(16)13(10)21(19,20)17-7-8-3-1-2-4-12(8)18/h5-6,8,12,17-18H,1-4,7H2
InChIKeyYSSWGQYVYWARAT-UHFFFAOYSA-N
MW384.24 g/mol
LogP2.56
Rot. Bonds4

About 2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide

2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 64913911) has the molecular formula C13H16BrF2NO3S and a molecular weight of 384.24 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID64913911
Molecular FormulaC13H16BrF2NO3S
Molecular Weight384.24 g/mol
Exact Mass383.00
IUPAC Name2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C13H16BrF2NO3S/c14-10-5-9(15)6-11(16)13(10)21(19,20)17-7-8-3-1-2-4-12(8)18/h5-6,8,12,17-18H,1-4,7H2
InChIKeyYSSWGQYVYWARAT-UHFFFAOYSA-N
XLogP2.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913293
N-[2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115572292
3-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
CID 97244846
2,5-dibromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 81319336
5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 64913291
2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60643600
3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoic acid
CID 43091467
2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616375
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate
CID 83203648
2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
CID 97244861
3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106546349
N-[(4-bromocyclohexyl)methyl]-2,4,6-trifluorobenzenesulfonamide
CID 106136131

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 64913911) is 2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide is O=S(=O)(NCC1CCCCC1O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is YSSWGQYVYWARAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO3S/c14-10-5-9(15)6-11(16)13(10)21(19,20)17-7-8-3-1-2-4-12(8)18/h5-6,8,12,17-18H,1-4,7H2.
What are the key properties of 2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
2-bromo-4,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 384.24 g/mol, XLogP of 2.56, 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-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 64913911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).