4-N-cyclohexyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide

C17H22N2O4S3 — CID 1429122

IUPAC4-N-cyclohexyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H22N2O4S3/c20-25(21,18-13-15-7-4-12-24-15)16-8-10-17(11-9-16)26(22,23)19-14-5-2-1-3-6-14/h4,7-12,14,18-19H,1-3,5-6,13H2
InChIKeyAOMSTWVADBMTOK-UHFFFAOYSA-N
MW414.57 g/mol
LogP2.84
Rot. Bonds7

About 4-N-cyclohexyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide

4-N-cyclohexyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide (PubChem CID 1429122) has the molecular formula C17H22N2O4S3 and a molecular weight of 414.57 g/mol. Its IUPAC name is 4-N-cyclohexyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-cyclohexyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
PubChem CID1429122
Molecular FormulaC17H22N2O4S3
Molecular Weight414.57 g/mol
Exact Mass414.07
IUPAC Name4-N-cyclohexyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H22N2O4S3/c20-25(21,18-13-15-7-4-12-24-15)16-8-10-17(11-9-16)26(22,23)19-14-5-2-1-3-6-14/h4,7-12,14,18-19H,1-3,5-6,13H2
InChIKeyAOMSTWVADBMTOK-UHFFFAOYSA-N
XLogP2.84
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-cyclohexyl-1-N-(thiophen-2-ylmethyl)benzene-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

US10807974, Example 15
CID 130344869
US10807974, Example 5
CID 130358172
Benzenesulfonamide, N-(2-thienylmethyl)-
CID 2820601
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 6710502
N-[2-(benzenesulfonyl)-2-(thiophen-2-yl)ethyl]-4-fluorobenzene-1-sulfonamide
CID 16032960
N-[2-(Benzenesulfonyl)-2-(thiophen-2-YL)ethyl]benzenesulfonamide
CID 16032970
US10807974, Example 3
CID 130345075
US10807974, Example 25
CID 130345107
[5-[4-(3-Azidopropylsulfonyl)phenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 130344801
US10807974, Example 40
CID 130344802
US10807974, Example 41
CID 130344930
US10807974, Example 26
CID 130345069

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide?
The IUPAC name of 4-N-cyclohexyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide (CID 1429122) is 4-N-cyclohexyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-cyclohexyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-cyclohexyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide is O=S(=O)(NCc1cccs1)c1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of 4-N-cyclohexyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide?
The InChIKey is AOMSTWVADBMTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S3/c20-25(21,18-13-15-7-4-12-24-15)16-8-10-17(11-9-16)26(22,23)19-14-5-2-1-3-6-14/h4,7-12,14,18-19H,1-3,5-6,13H2.
What are the key properties of 4-N-cyclohexyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide?
4-N-cyclohexyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide has a molecular weight of 414.57 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide is sourced from PubChem (CID 1429122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).