3-amino-4-(cyclohexylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide

C19H33N5O2S — CID 139396850

IUPAC3-amino-4-(cyclohexylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCN1CCN(CCNS(=O)(=O)c2ccc(NC3CCCCC3)c(N)c2)CC1
InChIInChI=1S/C19H33N5O2S/c1-23-11-13-24(14-12-23)10-9-21-27(25,26)17-7-8-19(18(20)15-17)22-16-5-3-2-4-6-16/h7-8,15-16,21-22H,2-6,9-14,20H2,1H3
InChIKeyZUHNZOXBNRIDHI-UHFFFAOYSA-N
MW395.57 g/mol
LogP1.54
Rot. Bonds7

About 3-amino-4-(cyclohexylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide

3-amino-4-(cyclohexylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 139396850) has the molecular formula C19H33N5O2S and a molecular weight of 395.57 g/mol. Its IUPAC name is 3-amino-4-(cyclohexylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(cyclohexylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID139396850
Molecular FormulaC19H33N5O2S
Molecular Weight395.57 g/mol
Exact Mass395.24
IUPAC Name3-amino-4-(cyclohexylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCN1CCN(CCNS(=O)(=O)c2ccc(NC3CCCCC3)c(N)c2)CC1
InChIInChI=1S/C19H33N5O2S/c1-23-11-13-24(14-12-23)10-9-21-27(25,26)17-7-8-19(18(20)15-17)22-16-5-3-2-4-6-16/h7-8,15-16,21-22H,2-6,9-14,20H2,1H3
InChIKeyZUHNZOXBNRIDHI-UHFFFAOYSA-N
XLogP1.54
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(cyclohexylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-(cyclohexylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 139396850) is 3-amino-4-(cyclohexylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-(cyclohexylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-(cyclohexylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide is CN1CCN(CCNS(=O)(=O)c2ccc(NC3CCCCC3)c(N)c2)CC1.
What is the InChIKey of 3-amino-4-(cyclohexylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is ZUHNZOXBNRIDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2S/c1-23-11-13-24(14-12-23)10-9-21-27(25,26)17-7-8-19(18(20)15-17)22-16-5-3-2-4-6-16/h7-8,15-16,21-22H,2-6,9-14,20H2,1H3.
What are the key properties of 3-amino-4-(cyclohexylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
3-amino-4-(cyclohexylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 395.57 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(cyclohexylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 139396850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).