1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea

C11H13N5O3S — CID 47364024

IUPAC1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea
SMILESCNC(=O)Nc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C11H13N5O3S/c1-12-11(17)15-8-2-4-9(5-3-8)16-20(18,19)10-6-13-14-7-10/h2-7,16H,1H3,(H,13,14)(H2,12,15,17)
InChIKeyUAGXPIONECLLRD-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.96
Rot. Bonds4

About 1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea

1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea (PubChem CID 47364024) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea
PubChem CID47364024
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea
SMILESCNC(=O)Nc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C11H13N5O3S/c1-12-11(17)15-8-2-4-9(5-3-8)16-20(18,19)10-6-13-14-7-10/h2-7,16H,1H3,(H,13,14)(H2,12,15,17)
InChIKeyUAGXPIONECLLRD-UHFFFAOYSA-N
XLogP0.96
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea
CID 61275594
N-[4-(1-aminoethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54937351
N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54936916
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54937492
5-(1H-pyrazol-4-ylsulfonylamino)benzene-1,3-dicarboxylic acid
CID 60916897
N-(6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 78945043
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
N-[4-(1H-imidazol-5-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61275741
2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
CID 103847505
3-[2-methyl-5-(1H-pyrazol-4-ylsulfonylamino)phenyl]prop-2-enoic acid
CID 77011648
N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267601
N-(4-cyclopentylsulfanylphenyl)-1H-pyrazole-4-sulfonamide
CID 61275750

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea?
The IUPAC name of 1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea (CID 47364024) is 1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea.
What is the SMILES notation for 1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea?
The canonical SMILES for 1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea is CNC(=O)Nc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1.
What is the InChIKey of 1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea?
The InChIKey is UAGXPIONECLLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-12-11(17)15-8-2-4-9(5-3-8)16-20(18,19)10-6-13-14-7-10/h2-7,16H,1H3,(H,13,14)(H2,12,15,17).
What are the key properties of 1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea?
1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea has a molecular weight of 295.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea is sourced from PubChem (CID 47364024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).