4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide

C14H20BrNO3S — CID 62527403

IUPAC4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
SMILESCC1CCCC(CO)(NS(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C14H20BrNO3S/c1-11-3-2-8-14(9-11,10-17)16-20(18,19)13-6-4-12(15)5-7-13/h4-7,11,16-17H,2-3,8-10H2,1H3
InChIKeyGDIQVJZMNBMFHC-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.67
Rot. Bonds4

About 4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide

4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide (PubChem CID 62527403) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
PubChem CID62527403
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
SMILESCC1CCCC(CO)(NS(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C14H20BrNO3S/c1-11-3-2-8-14(9-11,10-17)16-20(18,19)13-6-4-12(15)5-7-13/h4-7,11,16-17H,2-3,8-10H2,1H3
InChIKeyGDIQVJZMNBMFHC-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527220
3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525698
4-amino-3-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 82845931
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527752
4-amino-2-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525701
5-bromo-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-sulfonamide
CID 80577795
N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclopropanesulfonamide
CID 64552221
N-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide
CID 63766993
4-N-[1-(hydroxymethyl)cyclobutyl]-1-N-methylbenzene-1,4-disulfonamide
CID 115903007
2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527401
N-[1-(bromomethyl)-3-methylcyclohexyl]-3,4-difluorobenzenesulfonamide
CID 114293927
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide
CID 55231623

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide (CID 62527403) is 4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide is CC1CCCC(CO)(NS(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
The InChIKey is GDIQVJZMNBMFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c1-11-3-2-8-14(9-11,10-17)16-20(18,19)13-6-4-12(15)5-7-13/h4-7,11,16-17H,2-3,8-10H2,1H3.
What are the key properties of 4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide has a molecular weight of 362.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 62527403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).