3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide

C14H17N3O3S — CID 103854212

IUPAC3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NC(C)c2cn[nH]c2)c1
InChIInChI=1S/C14H17N3O3S/c1-3-14(18)11-5-4-6-13(7-11)21(19,20)17-10(2)12-8-15-16-9-12/h4-10,17H,3H2,1-2H3,(H,15,16)
InChIKeyIBBRLNFRQVLEFB-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.04
Rot. Bonds6

About 3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide

3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 103854212) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID103854212
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NC(C)c2cn[nH]c2)c1
InChIInChI=1S/C14H17N3O3S/c1-3-14(18)11-5-4-6-13(7-11)21(19,20)17-10(2)12-8-15-16-9-12/h4-10,17H,3H2,1-2H3,(H,15,16)
InChIKeyIBBRLNFRQVLEFB-UHFFFAOYSA-N
XLogP2.04
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
N-pentan-2-yl-3-propanoylbenzenesulfonamide
CID 60872867
N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 60873627
2-hydroxy-5-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]benzoic acid
CID 106208820
3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854165
2-bromo-5-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]benzoic acid
CID 106208908
2-iodo-5-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]benzoic acid
CID 106208885
N-hexan-2-yl-3-propanoylbenzenesulfonamide
CID 62200821
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
2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 106217923
N-[1-(oxolan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 60873458

Frequently Asked Questions

What is the IUPAC name of 3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide (CID 103854212) is 3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)NC(C)c2cn[nH]c2)c1.
What is the InChIKey of 3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is IBBRLNFRQVLEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-3-14(18)11-5-4-6-13(7-11)21(19,20)17-10(2)12-8-15-16-9-12/h4-10,17H,3H2,1-2H3,(H,15,16).
What are the key properties of 3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 103854212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).