1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide

C19H28N4O2S — CID 56912861

IUPAC1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCN(CCCc3ccccc3)C2)cn1
InChIInChI=1S/C19H28N4O2S/c1-2-23-16-19(14-20-23)26(24,25)21-18-11-7-13-22(15-18)12-6-10-17-8-4-3-5-9-17/h3-5,8-9,14,16,18,21H,2,6-7,10-13,15H2,1H3
InChIKeyIKYAHSWRYYZMOQ-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.28
Rot. Bonds8

About 1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide

1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide (PubChem CID 56912861) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide
PubChem CID56912861
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCN(CCCc3ccccc3)C2)cn1
InChIInChI=1S/C19H28N4O2S/c1-2-23-16-19(14-20-23)26(24,25)21-18-11-7-13-22(15-18)12-6-10-17-8-4-3-5-9-17/h3-5,8-9,14,16,18,21H,2,6-7,10-13,15H2,1H3
InChIKeyIKYAHSWRYYZMOQ-UHFFFAOYSA-N
XLogP2.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 42510266
ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen
CID 162749983
N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide
CID 154569315
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
4,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidin-2-amine
CID 70779671
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 45198986
N-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]benzenesulfonamide
CID 84598150
3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride
CID 56802015
N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
CID 45168889
N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
CID 45244892
N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide
CID 52534323
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide (CID 56912861) is 1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CCCN(CCCc3ccccc3)C2)cn1.
What is the InChIKey of 1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide?
The InChIKey is IKYAHSWRYYZMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-2-23-16-19(14-20-23)26(24,25)21-18-11-7-13-22(15-18)12-6-10-17-8-4-3-5-9-17/h3-5,8-9,14,16,18,21H,2,6-7,10-13,15H2,1H3.
What are the key properties of 1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide?
1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide has a molecular weight of 376.53 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 56912861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).