4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]amino]benzenesulfonamide

C14H18N4O3S — CID 86278564

IUPAC4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]amino]benzenesulfonamide
SMILESCc1cc(C)n(C(=O)CCNc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C14H18N4O3S/c1-10-9-11(2)18(17-10)14(19)7-8-16-12-3-5-13(6-4-12)22(15,20)21/h3-6,9,16H,7-8H2,1-2H3,(H2,15,20,21)
InChIKeySQGUOOCGLKRFBU-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.29
Rot. Bonds5

About 4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]amino]benzenesulfonamide

4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]amino]benzenesulfonamide (PubChem CID 86278564) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]amino]benzenesulfonamide
PubChem CID86278564
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]amino]benzenesulfonamide
SMILESCc1cc(C)n(C(=O)CCNc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C14H18N4O3S/c1-10-9-11(2)18(17-10)14(19)7-8-16-12-3-5-13(6-4-12)22(15,20)21/h3-6,9,16H,7-8H2,1-2H3,(H2,15,20,21)
InChIKeySQGUOOCGLKRFBU-UHFFFAOYSA-N
XLogP1.29
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonamide
CID 706169
4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 3164045
N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]phenyl}acetamide
CID 659817
N-[4-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 4318633
N-{4-[(ethylamino)sulfonyl]phenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 3243581
N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
CID 1091854
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]benzenesulfonamide
CID 6499781
N-{4-[(ethylamino)sulfonyl]phenyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3244508
N-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfamoyl]phenyl}acetamide
CID 7762538
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2514702
1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(phenylsulfonyl)piperazine
CID 6489214
N-(4-Chlorophenyl)-3-[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-YL]propanamide
CID 16027729

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]amino]benzenesulfonamide?
The IUPAC name of 4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]amino]benzenesulfonamide (CID 86278564) is 4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]amino]benzenesulfonamide is Cc1cc(C)n(C(=O)CCNc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]amino]benzenesulfonamide?
The InChIKey is SQGUOOCGLKRFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-10-9-11(2)18(17-10)14(19)7-8-16-12-3-5-13(6-4-12)22(15,20)21/h3-6,9,16H,7-8H2,1-2H3,(H2,15,20,21).
What are the key properties of 4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]amino]benzenesulfonamide?
4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]amino]benzenesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]amino]benzenesulfonamide is sourced from PubChem (CID 86278564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).