N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide

C10H11N3O4S2 — CID 47267601

IUPACN-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCS(=O)(=O)c1cccc(NS(=O)(=O)c2cn[nH]c2)c1
InChIInChI=1S/C10H11N3O4S2/c1-18(14,15)9-4-2-3-8(5-9)13-19(16,17)10-6-11-12-7-10/h2-7,13H,1H3,(H,11,12)
InChIKeyIWQDOBSBKLXLGU-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.61
Rot. Bonds4

About N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide

N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47267601) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID47267601
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC NameN-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCS(=O)(=O)c1cccc(NS(=O)(=O)c2cn[nH]c2)c1
InChIInChI=1S/C10H11N3O4S2/c1-18(14,15)9-4-2-3-8(5-9)13-19(16,17)10-6-11-12-7-10/h2-7,13H,1H3,(H,11,12)
InChIKeyIWQDOBSBKLXLGU-UHFFFAOYSA-N
XLogP0.61
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-pyrazol-4-ylsulfonylamino)benzenecarbothioamide
CID 54937180
N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide
CID 47267959
4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532785
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61274374
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61250480
3-methylsulfonyl-N-phenylbenzenesulfonamide
CID 6461889
N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 63998008
N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54936916
N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
CID 82861812
N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 115663189
4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide
CID 18286126

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide (CID 47267601) is N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide is CS(=O)(=O)c1cccc(NS(=O)(=O)c2cn[nH]c2)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is IWQDOBSBKLXLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c1-18(14,15)9-4-2-3-8(5-9)13-19(16,17)10-6-11-12-7-10/h2-7,13H,1H3,(H,11,12).
What are the key properties of N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide?
N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 301.35 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).