1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide

C17H22N4O3S — CID 22203721

IUPAC1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cn1
InChIInChI=1S/C17H22N4O3S/c1-2-21-13-16(12-18-21)25(23,24)19-15-8-6-14(7-9-15)17(22)20-10-4-3-5-11-20/h6-9,12-13,19H,2-5,10-11H2,1H3
InChIKeyIFNBSXNULKLOPL-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.33
Rot. Bonds5

About 1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide

1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide (PubChem CID 22203721) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide
PubChem CID22203721
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cn1
InChIInChI=1S/C17H22N4O3S/c1-2-21-13-16(12-18-21)25(23,24)19-15-8-6-14(7-9-15)17(22)20-10-4-3-5-11-20/h6-9,12-13,19H,2-5,10-11H2,1H3
InChIKeyIFNBSXNULKLOPL-UHFFFAOYSA-N
XLogP2.33
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide
CID 22773189
N-[4-(piperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 2995976
N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide
CID 22203693
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 43430297
1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide
CID 19684559
N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119055427
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2988153
4-(pyrrolidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 109059218
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 17263026
1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 71998246

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide (CID 22203721) is 1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cn1.
What is the InChIKey of 1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is IFNBSXNULKLOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-2-21-13-16(12-18-21)25(23,24)19-15-8-6-14(7-9-15)17(22)20-10-4-3-5-11-20/h6-9,12-13,19H,2-5,10-11H2,1H3.
What are the key properties of 1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide?
1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide has a molecular weight of 362.46 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 22203721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).