4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid

C14H17N3O4S — CID 167978269

IUPAC4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid
SMILESCn1cc(S(=O)(=O)Nc2cccc(CCCC(=O)O)c2)cn1
InChIInChI=1S/C14H17N3O4S/c1-17-10-13(9-15-17)22(20,21)16-12-6-2-4-11(8-12)5-3-7-14(18)19/h2,4,6,8-10,16H,3,5,7H2,1H3,(H,18,19)
InChIKeyWQBLIVCARUCOIN-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.63
Rot. Bonds7

About 4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid

4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid (PubChem CID 167978269) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid
PubChem CID167978269
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid
SMILESCn1cc(S(=O)(=O)Nc2cccc(CCCC(=O)O)c2)cn1
InChIInChI=1S/C14H17N3O4S/c1-17-10-13(9-15-17)22(20,21)16-12-6-2-4-11(8-12)5-3-7-14(18)19/h2,4,6,8-10,16H,3,5,7H2,1H3,(H,18,19)
InChIKeyWQBLIVCARUCOIN-UHFFFAOYSA-N
XLogP1.63
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid
CID 61058726
N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 86980323
4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171
N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide
CID 106912960
5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 62033979
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063001
1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide
CID 62063324
N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063494
N-cyclopropyl-2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 71806623
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
(2R)-2-[[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]methyl]butanoic acid
CID 129398690
N-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 119438590

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid?
The IUPAC name of 4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid (CID 167978269) is 4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid.
What is the SMILES notation for 4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid?
The canonical SMILES for 4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid is Cn1cc(S(=O)(=O)Nc2cccc(CCCC(=O)O)c2)cn1.
What is the InChIKey of 4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid?
The InChIKey is WQBLIVCARUCOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-17-10-13(9-15-17)22(20,21)16-12-6-2-4-11(8-12)5-3-7-14(18)19/h2,4,6,8-10,16H,3,5,7H2,1H3,(H,18,19).
What are the key properties of 4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid?
4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid has a molecular weight of 323.37 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid is sourced from PubChem (CID 167978269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).