N-(4-cyano-1-methylpyrazol-3-yl)-4-pentoxybenzenesulfonamide

C16H20N4O3S — CID 127266514

IUPACN-(4-cyano-1-methylpyrazol-3-yl)-4-pentoxybenzenesulfonamide
SMILESCCCCCOc1ccc(S(=O)(=O)Nc2nn(C)cc2C#N)cc1
InChIInChI=1S/C16H20N4O3S/c1-3-4-5-10-23-14-6-8-15(9-7-14)24(21,22)19-16-13(11-17)12-20(2)18-16/h6-9,12H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyTWZCJWUCHQMMOG-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.66
Rot. Bonds8

About N-(4-cyano-1-methylpyrazol-3-yl)-4-pentoxybenzenesulfonamide

N-(4-cyano-1-methylpyrazol-3-yl)-4-pentoxybenzenesulfonamide (PubChem CID 127266514) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-3-yl)-4-pentoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-3-yl)-4-pentoxybenzenesulfonamide
PubChem CID127266514
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-(4-cyano-1-methylpyrazol-3-yl)-4-pentoxybenzenesulfonamide
SMILESCCCCCOc1ccc(S(=O)(=O)Nc2nn(C)cc2C#N)cc1
InChIInChI=1S/C16H20N4O3S/c1-3-4-5-10-23-14-6-8-15(9-7-14)24(21,22)19-16-13(11-17)12-20(2)18-16/h6-9,12H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyTWZCJWUCHQMMOG-UHFFFAOYSA-N
XLogP2.66
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide
CID 115688297
5-cyano-N-(4-cyano-1-methylpyrazol-3-yl)thiophene-2-sulfonamide
CID 106266826
4-nitro-N-(4-pentoxyphenyl)benzenesulfonamide
CID 19169192
N-(4-cyano-1-methylpyrazol-3-yl)-1-phenylmethanesulfonamide
CID 112547621
N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide
CID 18515517
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide
CID 22486758
N-(4-cyano-1-methylpyrazol-3-yl)heptanamide
CID 114752737
N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide
CID 119973145
N-(3,4-dihydroxyphenyl)-4-octadecoxybenzenesulfonamide
CID 71344674
methyl 2-[(4-hexadecoxyphenyl)sulfonylamino]benzoate
CID 15002142

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-4-pentoxybenzenesulfonamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-4-pentoxybenzenesulfonamide (CID 127266514) is N-(4-cyano-1-methylpyrazol-3-yl)-4-pentoxybenzenesulfonamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-3-yl)-4-pentoxybenzenesulfonamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-3-yl)-4-pentoxybenzenesulfonamide is CCCCCOc1ccc(S(=O)(=O)Nc2nn(C)cc2C#N)cc1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-3-yl)-4-pentoxybenzenesulfonamide?
The InChIKey is TWZCJWUCHQMMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-3-4-5-10-23-14-6-8-15(9-7-14)24(21,22)19-16-13(11-17)12-20(2)18-16/h6-9,12H,3-5,10H2,1-2H3,(H,18,19).
What are the key properties of N-(4-cyano-1-methylpyrazol-3-yl)-4-pentoxybenzenesulfonamide?
N-(4-cyano-1-methylpyrazol-3-yl)-4-pentoxybenzenesulfonamide has a molecular weight of 348.43 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-3-yl)-4-pentoxybenzenesulfonamide is sourced from PubChem (CID 127266514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).