4-[5-(dimethylamino)pentyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C20H32N4O2S — CID 58561231

IUPAC4-[5-(dimethylamino)pentyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(CCCCCN(C)C)cc1
InChIInChI=1S/C20H32N4O2S/c1-16-20(17(2)23(5)21-16)24(6)27(25,26)19-13-11-18(12-14-19)10-8-7-9-15-22(3)4/h11-14H,7-10,15H2,1-6H3
InChIKeySFBXFQFPPYDGMM-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.14
Rot. Bonds9

About 4-[5-(dimethylamino)pentyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-[5-(dimethylamino)pentyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561231) has the molecular formula C20H32N4O2S and a molecular weight of 392.57 g/mol. Its IUPAC name is 4-[5-(dimethylamino)pentyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(dimethylamino)pentyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561231
Molecular FormulaC20H32N4O2S
Molecular Weight392.57 g/mol
Exact Mass392.22
IUPAC Name4-[5-(dimethylamino)pentyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(CCCCCN(C)C)cc1
InChIInChI=1S/C20H32N4O2S/c1-16-20(17(2)23(5)21-16)24(6)27(25,26)19-13-11-18(12-14-19)10-8-7-9-15-22(3)4/h11-14H,7-10,15H2,1-6H3
InChIKeySFBXFQFPPYDGMM-UHFFFAOYSA-N
XLogP3.14
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(dimethylamino)pentyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-[5-(dimethylamino)pentyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561231) is 4-[5-(dimethylamino)pentyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-[5-(dimethylamino)pentyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-[5-(dimethylamino)pentyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(CCCCCN(C)C)cc1.
What is the InChIKey of 4-[5-(dimethylamino)pentyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is SFBXFQFPPYDGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2S/c1-16-20(17(2)23(5)21-16)24(6)27(25,26)19-13-11-18(12-14-19)10-8-7-9-15-22(3)4/h11-14H,7-10,15H2,1-6H3.
What are the key properties of 4-[5-(dimethylamino)pentyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-[5-(dimethylamino)pentyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 392.57 g/mol, XLogP of 3.14, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(dimethylamino)pentyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).