1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide

C17H24N4O4S2 — CID 19684559

IUPAC1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)cn1
InChIInChI=1S/C17H24N4O4S2/c1-3-20-13-17(12-18-20)26(22,23)19-15-7-9-16(10-8-15)27(24,25)21-11-5-4-6-14(21)2/h7-10,12-14,19H,3-6,11H2,1-2H3
InChIKeyNKGMGYLMULCTSK-UHFFFAOYSA-N
MW412.54 g/mol
LogP2.27
Rot. Bonds6

About 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide

1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide (PubChem CID 19684559) has the molecular formula C17H24N4O4S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide
PubChem CID19684559
Molecular FormulaC17H24N4O4S2
Molecular Weight412.54 g/mol
Exact Mass412.12
IUPAC Name1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)cn1
InChIInChI=1S/C17H24N4O4S2/c1-3-20-13-17(12-18-20)26(22,23)19-15-7-9-16(10-8-15)27(24,25)21-11-5-4-6-14(21)2/h7-10,12-14,19H,3-6,11H2,1-2H3
InChIKeyNKGMGYLMULCTSK-UHFFFAOYSA-N
XLogP2.27
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 17263026
1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide
CID 19684462
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
2,3,5,6-tetramethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 17301180
3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684542
1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide
CID 22203721
2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684545
N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline
CID 110826925
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol
CID 168595112
2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684541

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide (CID 19684559) is 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)cn1.
What is the InChIKey of 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide?
The InChIKey is NKGMGYLMULCTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S2/c1-3-20-13-17(12-18-20)26(22,23)19-15-7-9-16(10-8-15)27(24,25)21-11-5-4-6-14(21)2/h7-10,12-14,19H,3-6,11H2,1-2H3.
What are the key properties of 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide?
1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide has a molecular weight of 412.54 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19684559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).