N-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide

C14H20N4O3S — CID 120583442

IUPACN-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide
SMILESCOc1ccccc1-n1cc(S(=O)(=O)NCCCCN)cn1
InChIInChI=1S/C14H20N4O3S/c1-21-14-7-3-2-6-13(14)18-11-12(10-16-18)22(19,20)17-9-5-4-8-15/h2-3,6-7,10-11,17H,4-5,8-9,15H2,1H3
InChIKeyMNFMCONBHVIBIV-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.90
Rot. Bonds8

About N-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide

N-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide (PubChem CID 120583442) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide
PubChem CID120583442
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide
SMILESCOc1ccccc1-n1cc(S(=O)(=O)NCCCCN)cn1
InChIInChI=1S/C14H20N4O3S/c1-21-14-7-3-2-6-13(14)18-11-12(10-16-18)22(19,20)17-9-5-4-8-15/h2-3,6-7,10-11,17H,4-5,8-9,15H2,1H3
InChIKeyMNFMCONBHVIBIV-UHFFFAOYSA-N
XLogP0.90
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminohexan-2-yl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide
CID 119993378
1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 119977433
N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride
CID 120585040
N-(3-aminopropyl)-2-methoxybenzenesulfonamide
CID 43605820
1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978577
N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787
1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
CID 119959400
N-(cyclopropylmethyl)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987935
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 131950435
1-(2-methoxyphenyl)pyrazol-4-ol
CID 117124800
N-(4-aminobutyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 60895774
(3S,4R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766954

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide (CID 120583442) is N-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide is COc1ccccc1-n1cc(S(=O)(=O)NCCCCN)cn1.
What is the InChIKey of N-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide?
The InChIKey is MNFMCONBHVIBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-21-14-7-3-2-6-13(14)18-11-12(10-16-18)22(19,20)17-9-5-4-8-15/h2-3,6-7,10-11,17H,4-5,8-9,15H2,1H3.
What are the key properties of N-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide?
N-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide has a molecular weight of 324.41 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 120583442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).