3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C11H13ClN4O2S — CID 106061953

IUPAC3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H13ClN4O2S/c1-7-11(10(6-13)15-14-7)19(17,18)16-9-5-3-2-4-8(9)12/h2-5,16H,6,13H2,1H3,(H,14,15)
InChIKeyUNOCWKWOHLYCLM-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.63
Rot. Bonds4

About 3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 106061953) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID106061953
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H13ClN4O2S/c1-7-11(10(6-13)15-14-7)19(17,18)16-9-5-3-2-4-8(9)12/h2-5,16H,6,13H2,1H3,(H,14,15)
InChIKeyUNOCWKWOHLYCLM-UHFFFAOYSA-N
XLogP1.63
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106006895
3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106073368
3-(aminomethyl)-5-methyl-N-(6-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 106073270
3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide
CID 107817829
4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106057369
3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 106088096
N-(2-methoxyphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106044765
3-(aminomethyl)-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106003747
ethyl 4-[(2-chlorophenyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20923398
3-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106055214
N-(3-bromo-2-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106088134
3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257589

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 106061953) is 3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]nc(CN)c1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of 3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is UNOCWKWOHLYCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-7-11(10(6-13)15-14-7)19(17,18)16-9-5-3-2-4-8(9)12/h2-5,16H,6,13H2,1H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 300.77 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106061953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).