1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide

C14H22N2O4S2 — CID 859646

IUPAC1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C14H22N2O4S2/c1-16(2)22(19,20)14-10-8-13(9-11-14)21(17,18)15-12-6-4-3-5-7-12/h8-12,15H,3-7H2,1-2H3
InChIKeySFYCSARQYJUMQI-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.55
Rot. Bonds5

About 1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide

1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide (PubChem CID 859646) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide
PubChem CID859646
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC Name1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C14H22N2O4S2/c1-16(2)22(19,20)14-10-8-13(9-11-14)21(17,18)15-12-6-4-3-5-7-12/h8-12,15H,3-7H2,1-2H3
InChIKeySFYCSARQYJUMQI-UHFFFAOYSA-N
XLogP1.55
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide 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

N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
CID 43167801
N-cyclopentyl-4-propan-2-ylbenzenesulfonamide
CID 6469335
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
sodium 4-(cyclohexylsulfamoyl)benzoate
CID 122705986
N-cyclopentyl-1-[4-(dimethylsulfamoyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 19164501
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
The IUPAC name of 1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide (CID 859646) is 1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide.
What is the SMILES notation for 1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
The canonical SMILES for 1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide is CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
The InChIKey is SFYCSARQYJUMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-16(2)22(19,20)14-10-8-13(9-11-14)21(17,18)15-12-6-4-3-5-7-12/h8-12,15H,3-7H2,1-2H3.
What are the key properties of 1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide has a molecular weight of 346.47 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide is sourced from PubChem (CID 859646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).