2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide

C14H19Cl2NO3S — CID 115755568

IUPAC2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(CO)CCCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H19Cl2NO3S/c15-11-5-4-6-12(16)13(11)21(19,20)17-9-14(10-18)7-2-1-3-8-14/h4-6,17-18H,1-3,7-10H2
InChIKeyMBWJCKIMDPPKLC-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.21
Rot. Bonds5

About 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide

2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide (PubChem CID 115755568) has the molecular formula C14H19Cl2NO3S and a molecular weight of 352.28 g/mol. Its IUPAC name is 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
PubChem CID115755568
Molecular FormulaC14H19Cl2NO3S
Molecular Weight352.28 g/mol
Exact Mass351.05
IUPAC Name2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(CO)CCCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H19Cl2NO3S/c15-11-5-4-6-12(16)13(11)21(19,20)17-9-14(10-18)7-2-1-3-8-14/h4-6,17-18H,1-3,7-10H2
InChIKeyMBWJCKIMDPPKLC-UHFFFAOYSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2,6-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115362863
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965941
2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide
CID 115755597
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293557
3-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 110642368
5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzenesulfonamide
CID 115755627
5-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 115755592
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 110642394
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 115366259
5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide
CID 103968565
2-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115357865
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 110292626

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide (CID 115755568) is 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide is O=S(=O)(NCC1(CO)CCCCC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide?
The InChIKey is MBWJCKIMDPPKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3S/c15-11-5-4-6-12(16)13(11)21(19,20)17-9-14(10-18)7-2-1-3-8-14/h4-6,17-18H,1-3,7-10H2.
What are the key properties of 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide?
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide has a molecular weight of 352.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide is sourced from PubChem (CID 115755568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).