4-amino-N-methyl-N-[4-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]benzenesulfonamide

C19H28N4O2S — CID 89231820

IUPAC4-amino-N-methyl-N-[4-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]benzenesulfonamide
SMILESCN(C1CCC(NCc2ccn(C)c2)CC1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C19H28N4O2S/c1-22-12-11-15(14-22)13-21-17-5-7-18(8-6-17)23(2)26(24,25)19-9-3-16(20)4-10-19/h3-4,9-12,14,17-18,21H,5-8,13,20H2,1-2H3
InChIKeyZEBMRYCRNJTKSN-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.33
Rot. Bonds6

About 4-amino-N-methyl-N-[4-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]benzenesulfonamide

4-amino-N-methyl-N-[4-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]benzenesulfonamide (PubChem CID 89231820) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[4-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[4-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]benzenesulfonamide
PubChem CID89231820
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name4-amino-N-methyl-N-[4-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]benzenesulfonamide
SMILESCN(C1CCC(NCc2ccn(C)c2)CC1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C19H28N4O2S/c1-22-12-11-15(14-22)13-21-17-5-7-18(8-6-17)23(2)26(24,25)19-9-3-16(20)4-10-19/h3-4,9-12,14,17-18,21H,5-8,13,20H2,1-2H3
InChIKeyZEBMRYCRNJTKSN-UHFFFAOYSA-N
XLogP2.33
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[4-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-N-[4-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]benzenesulfonamide (CID 89231820) is 4-amino-N-methyl-N-[4-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-[4-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-[4-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]benzenesulfonamide is CN(C1CCC(NCc2ccn(C)c2)CC1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-methyl-N-[4-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]benzenesulfonamide?
The InChIKey is ZEBMRYCRNJTKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-22-12-11-15(14-22)13-21-17-5-7-18(8-6-17)23(2)26(24,25)19-9-3-16(20)4-10-19/h3-4,9-12,14,17-18,21H,5-8,13,20H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-[4-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]benzenesulfonamide?
4-amino-N-methyl-N-[4-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]benzenesulfonamide has a molecular weight of 376.53 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[4-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 89231820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).