3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide

C13H17Cl2NO3S — CID 62521842

IUPAC3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCCCC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO3S/c14-10-6-11(15)8-12(7-10)20(18,19)16-13(9-17)4-2-1-3-5-13/h6-8,16-17H,1-5,9H2
InChIKeyVAKTUYRASNRLDI-UHFFFAOYSA-N
MW338.26 g/mol
LogP2.97
Rot. Bonds4

About 3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide

3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide (PubChem CID 62521842) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
PubChem CID62521842
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCCCC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO3S/c14-10-6-11(15)8-12(7-10)20(18,19)16-13(9-17)4-2-1-3-5-13/h6-8,16-17H,1-5,9H2
InChIKeyVAKTUYRASNRLDI-UHFFFAOYSA-N
XLogP2.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
CID 62518568
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62519723
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62527592
2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64701151
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527752
4-ethyl-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 55082213
3,5-dichloro-N-[4-(chloromethyl)oxan-4-yl]benzenesulfonamide
CID 106301418
4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 65481622
N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide
CID 62519994
4-N-[1-(hydroxymethyl)cyclobutyl]-1-N-methylbenzene-1,4-disulfonamide
CID 115903007
4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzamide
CID 62522485
N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
CID 62521953

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide (CID 62521842) is 3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide is O=S(=O)(NC1(CO)CCCCC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is VAKTUYRASNRLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c14-10-6-11(15)8-12(7-10)20(18,19)16-13(9-17)4-2-1-3-5-13/h6-8,16-17H,1-5,9H2.
What are the key properties of 3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 338.26 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 62521842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).