N-[3-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

C18H24N4O3S — CID 77088876

IUPACN-[3-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCn1cc(CCCNS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cn1
InChIInChI=1S/C18H24N4O3S/c1-21-14-15(13-19-21)6-5-9-20-26(24,25)17-8-4-7-16(12-17)18(23)22-10-2-3-11-22/h4,7-8,12-14,20H,2-3,5-6,9-11H2,1H3
InChIKeyYUONALDBHICRGT-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.57
Rot. Bonds7

About N-[3-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

N-[3-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 77088876) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID77088876
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[3-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCn1cc(CCCNS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cn1
InChIInChI=1S/C18H24N4O3S/c1-21-14-15(13-19-21)6-5-9-20-26(24,25)17-8-4-7-16(12-17)18(23)22-10-2-3-11-22/h4,7-8,12-14,20H,2-3,5-6,9-11H2,1H3
InChIKeyYUONALDBHICRGT-UHFFFAOYSA-N
XLogP1.57
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.57
H-Bond Donors ≤ 51
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 N-[3-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 77088876) is N-[3-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is Cn1cc(CCCNS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is YUONALDBHICRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-21-14-15(13-19-21)6-5-9-20-26(24,25)17-8-4-7-16(12-17)18(23)22-10-2-3-11-22/h4,7-8,12-14,20H,2-3,5-6,9-11H2,1H3.
What are the key properties of N-[3-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-[3-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 77088876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).