N,N-diethyl-3,5-dimethyl-1-(3-piperidin-1-ylsulfonylbenzoyl)pyrazole-4-sulfonamide

C21H30N4O5S2 — CID 22579037

IUPACN,N-diethyl-3,5-dimethyl-1-(3-piperidin-1-ylsulfonylbenzoyl)pyrazole-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(C)nn(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1C
InChIInChI=1S/C21H30N4O5S2/c1-5-23(6-2)32(29,30)20-16(3)22-25(17(20)4)21(26)18-11-10-12-19(15-18)31(27,28)24-13-8-7-9-14-24/h10-12,15H,5-9,13-14H2,1-4H3
InChIKeyGRJHENSEHYHOFH-UHFFFAOYSA-N
MW482.63 g/mol
LogP2.39
Rot. Bonds7

About N,N-diethyl-3,5-dimethyl-1-(3-piperidin-1-ylsulfonylbenzoyl)pyrazole-4-sulfonamide

N,N-diethyl-3,5-dimethyl-1-(3-piperidin-1-ylsulfonylbenzoyl)pyrazole-4-sulfonamide (PubChem CID 22579037) has the molecular formula C21H30N4O5S2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N,N-diethyl-3,5-dimethyl-1-(3-piperidin-1-ylsulfonylbenzoyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3,5-dimethyl-1-(3-piperidin-1-ylsulfonylbenzoyl)pyrazole-4-sulfonamide
PubChem CID22579037
Molecular FormulaC21H30N4O5S2
Molecular Weight482.63 g/mol
Exact Mass482.17
IUPAC NameN,N-diethyl-3,5-dimethyl-1-(3-piperidin-1-ylsulfonylbenzoyl)pyrazole-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(C)nn(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1C
InChIInChI=1S/C21H30N4O5S2/c1-5-23(6-2)32(29,30)20-16(3)22-25(17(20)4)21(26)18-11-10-12-19(15-18)31(27,28)24-13-8-7-9-14-24/h10-12,15H,5-9,13-14H2,1-4H3
InChIKeyGRJHENSEHYHOFH-UHFFFAOYSA-N
XLogP2.39
TPSA109.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-bromobenzoyl)-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 27638183
[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(3-bromophenyl)methanone
CID 27453011
4-[3-(azepan-1-ylsulfonyl)benzoyl]-N,N-diethylpiperazine-1-sulfonamide
CID 24584449
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4986989
(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-ethoxyphenyl)methanone
CID 27652480
(4-bromophenyl)-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone
CID 27452918
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3547247
[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 142545287
N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 109063269
[3-(azepan-1-ylsulfonyl)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24627712
[4-(ethylaminomethyl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 119647439

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,5-dimethyl-1-(3-piperidin-1-ylsulfonylbenzoyl)pyrazole-4-sulfonamide?
The IUPAC name of N,N-diethyl-3,5-dimethyl-1-(3-piperidin-1-ylsulfonylbenzoyl)pyrazole-4-sulfonamide (CID 22579037) is N,N-diethyl-3,5-dimethyl-1-(3-piperidin-1-ylsulfonylbenzoyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N,N-diethyl-3,5-dimethyl-1-(3-piperidin-1-ylsulfonylbenzoyl)pyrazole-4-sulfonamide?
The canonical SMILES for N,N-diethyl-3,5-dimethyl-1-(3-piperidin-1-ylsulfonylbenzoyl)pyrazole-4-sulfonamide is CCN(CC)S(=O)(=O)c1c(C)nn(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1C.
What is the InChIKey of N,N-diethyl-3,5-dimethyl-1-(3-piperidin-1-ylsulfonylbenzoyl)pyrazole-4-sulfonamide?
The InChIKey is GRJHENSEHYHOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O5S2/c1-5-23(6-2)32(29,30)20-16(3)22-25(17(20)4)21(26)18-11-10-12-19(15-18)31(27,28)24-13-8-7-9-14-24/h10-12,15H,5-9,13-14H2,1-4H3.
What are the key properties of N,N-diethyl-3,5-dimethyl-1-(3-piperidin-1-ylsulfonylbenzoyl)pyrazole-4-sulfonamide?
N,N-diethyl-3,5-dimethyl-1-(3-piperidin-1-ylsulfonylbenzoyl)pyrazole-4-sulfonamide has a molecular weight of 482.63 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,5-dimethyl-1-(3-piperidin-1-ylsulfonylbenzoyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 22579037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).