3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

C11H13N3O2S — CID 54897411

IUPAC3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2cn[nH]c2)c1
InChIInChI=1S/C11H13N3O2S/c1-9-3-2-4-11(5-9)17(15,16)14-8-10-6-12-13-7-10/h2-7,14H,8H2,1H3,(H,12,13)
InChIKeyRBQLOSWXYZNPBG-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.20
Rot. Bonds4

About 3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (PubChem CID 54897411) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
PubChem CID54897411
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2cn[nH]c2)c1
InChIInChI=1S/C11H13N3O2S/c1-9-3-2-4-11(5-9)17(15,16)14-8-10-6-12-13-7-10/h2-7,14H,8H2,1H3,(H,12,13)
InChIKeyRBQLOSWXYZNPBG-UHFFFAOYSA-N
XLogP1.20
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897316
2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide
CID 61003075
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107232038
4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895455
N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107234034
N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide
CID 4994624
4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61126765
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895795
4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 55042991
3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
CID 110733832
3-(aminomethyl)-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106015927
N-[[4-(2-aminoethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 62502158

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (CID 54897411) is 3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2cn[nH]c2)c1.
What is the InChIKey of 3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is RBQLOSWXYZNPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-9-3-2-4-11(5-9)17(15,16)14-8-10-6-12-13-7-10/h2-7,14H,8H2,1H3,(H,12,13).
What are the key properties of 3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 54897411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).