4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide

C15H21N3O2S — CID 103854220

IUPAC4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC(C)c2cn[nH]c2)cc1
InChIInChI=1S/C15H21N3O2S/c1-4-11(2)13-5-7-15(8-6-13)21(19,20)18-12(3)14-9-16-17-10-14/h5-12,18H,4H2,1-3H3,(H,16,17)
InChIKeyKRKSBWXAWAYPLD-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.96
Rot. Bonds6

About 4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide

4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 103854220) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID103854220
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC(C)c2cn[nH]c2)cc1
InChIInChI=1S/C15H21N3O2S/c1-4-11(2)13-5-7-15(8-6-13)21(19,20)18-12(3)14-9-16-17-10-14/h5-12,18H,4H2,1-3H3,(H,16,17)
InChIKeyKRKSBWXAWAYPLD-UHFFFAOYSA-N
XLogP2.96
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 51249409
4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532769
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22204718
3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854165
4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772316
N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 47363914
3-amino-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208367
3-amino-4-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208303
3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854212
2-hydroxy-5-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]benzoic acid
CID 106208820

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide (CID 103854220) is 4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)NC(C)c2cn[nH]c2)cc1.
What is the InChIKey of 4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is KRKSBWXAWAYPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-11(2)13-5-7-15(8-6-13)21(19,20)18-12(3)14-9-16-17-10-14/h5-12,18H,4H2,1-3H3,(H,16,17).
What are the key properties of 4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 103854220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).