2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide

C14H20N4O2S — CID 62040457

IUPAC2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCc2cn[nH]c2C)c(N)c1
InChIInChI=1S/C14H20N4O2S/c1-10-5-6-14(13(15)8-10)21(19,20)17-7-3-4-12-9-16-18-11(12)2/h5-6,8-9,17H,3-4,7,15H2,1-2H3,(H,16,18)
InChIKeyKEHSRVVHUUUICP-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.52
Rot. Bonds6

About 2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide

2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide (PubChem CID 62040457) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
PubChem CID62040457
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCc2cn[nH]c2C)c(N)c1
InChIInChI=1S/C14H20N4O2S/c1-10-5-6-14(13(15)8-10)21(19,20)17-7-3-4-12-9-16-18-11(12)2/h5-6,8-9,17H,3-4,7,15H2,1-2H3,(H,16,18)
InChIKeyKEHSRVVHUUUICP-UHFFFAOYSA-N
XLogP1.52
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62040495
2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 60905949
2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide
CID 106594373
2-amino-6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62038556
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62040706
3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine
CID 114810051
2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981145
2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43258900
1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
CID 62040239
2-amino-4-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 64899567
4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole
CID 62040310
5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide
CID 62040501

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide (CID 62040457) is 2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCc2cn[nH]c2C)c(N)c1.
What is the InChIKey of 2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide?
The InChIKey is KEHSRVVHUUUICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10-5-6-14(13(15)8-10)21(19,20)17-7-3-4-12-9-16-18-11(12)2/h5-6,8-9,17H,3-4,7,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide?
2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 62040457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).