N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide

C18H26N4O4S2 — CID 19684585

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1C
InChIInChI=1S/C18H26N4O4S2/c1-3-22-15(2)18(14-19-22)27(23,24)20-16-8-10-17(11-9-16)28(25,26)21-12-6-4-5-7-13-21/h8-11,14,20H,3-7,12-13H2,1-2H3
InChIKeyIDZNRHNYLWTPAW-UHFFFAOYSA-N
MW426.56 g/mol
LogP2.58
Rot. Bonds6

About N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide (PubChem CID 19684585) has the molecular formula C18H26N4O4S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
PubChem CID19684585
Molecular FormulaC18H26N4O4S2
Molecular Weight426.56 g/mol
Exact Mass426.14
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1C
InChIInChI=1S/C18H26N4O4S2/c1-3-22-15(2)18(14-19-22)27(23,24)20-16-8-10-17(11-9-16)28(25,26)21-12-6-4-5-7-13-21/h8-11,14,20H,3-7,12-13H2,1-2H3
InChIKeyIDZNRHNYLWTPAW-UHFFFAOYSA-N
XLogP2.58
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide
CID 22203361
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzenesulfonamide
CID 19684568
1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19683642
1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 6465265
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-butan-2-ylbenzenesulfonamide
CID 19684570
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 21372462
N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide
CID 6471033
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100506208
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 134034160
4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 1274641
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chlorobenzenesulfonamide
CID 19684562
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 19684566

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide (CID 19684585) is N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1C.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The InChIKey is IDZNRHNYLWTPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S2/c1-3-22-15(2)18(14-19-22)27(23,24)20-16-8-10-17(11-9-16)28(25,26)21-12-6-4-5-7-13-21/h8-11,14,20H,3-7,12-13H2,1-2H3.
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide has a molecular weight of 426.56 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 19684585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).