2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide

C13H17Br2NO3S — CID 106126545

IUPAC2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCC(O)CC1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2NO3S/c14-10-3-6-13(12(15)7-10)20(18,19)16-8-9-1-4-11(17)5-2-9/h3,6-7,9,11,16-17H,1-2,4-5,8H2
InChIKeyJCGRARRNMJPZKD-UHFFFAOYSA-N
MW427.16 g/mol
LogP3.04
Rot. Bonds4

About 2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide

2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 106126545) has the molecular formula C13H17Br2NO3S and a molecular weight of 427.16 g/mol. Its IUPAC name is 2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID106126545
Molecular FormulaC13H17Br2NO3S
Molecular Weight427.16 g/mol
Exact Mass424.93
IUPAC Name2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCC(O)CC1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2NO3S/c14-10-3-6-13(12(15)7-10)20(18,19)16-8-9-1-4-11(17)5-2-9/h3,6-7,9,11,16-17H,1-2,4-5,8H2
InChIKeyJCGRARRNMJPZKD-UHFFFAOYSA-N
XLogP3.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.16
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66005687
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119401
4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide
CID 43255757
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 46406690
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126987
2,5-dibromo-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 55210127
2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012519
2,4-dibromo-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 113227180
5-amino-2,3-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119438
2-amino-5-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 63402228
2-[(2,4-dibromophenyl)sulfonylamino]acetic acid
CID 60823111
2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232776

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 106126545) is 2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide is O=S(=O)(NCC1CCC(O)CC1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is JCGRARRNMJPZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO3S/c14-10-3-6-13(12(15)7-10)20(18,19)16-8-9-1-4-11(17)5-2-9/h3,6-7,9,11,16-17H,1-2,4-5,8H2.
What are the key properties of 2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide?
2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 427.16 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106126545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).