N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide

C16H21N5O3S — CID 70783979

IUPACN-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESCN(Cc1ccn[nH]1)C(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C16H21N5O3S/c1-20(12-14-6-7-18-19-14)16(22)13-2-4-15(5-3-13)25(23,24)21-10-8-17-9-11-21/h2-7,17H,8-12H2,1H3,(H,18,19)
InChIKeyKFZCPDPGAQFSSB-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.28
Rot. Bonds5

About N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide

N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide (PubChem CID 70783979) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide
PubChem CID70783979
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC NameN-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESCN(Cc1ccn[nH]1)C(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C16H21N5O3S/c1-20(12-14-6-7-18-19-14)16(22)13-2-4-15(5-3-13)25(23,24)21-10-8-17-9-11-21/h2-7,17H,8-12H2,1H3,(H,18,19)
InChIKeyKFZCPDPGAQFSSB-UHFFFAOYSA-N
XLogP0.28
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylbenzenesulfonyl)-4-(5-phenyl-1H-pyrazole-3-carbonyl)piperazine
CID 8889263
N-Benzyl-N-(1H-pyrazol-3-ylmethyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 44328272
[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 16303626
1-(benzenesulfonyl)-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine
CID 17406798
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 25163291
N-[(3R,4S)-1-(benzenesulfonyl)-4-[[(3S)-piperidin-3-yl]carbamoyl]pyrrolidin-3-yl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 156015598
8-(benzenesulfonyl)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,4,8-triazacycloundecan-5-one
CID 110200910
1H-indazol-3-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9508798
1-(3-Phenyl-1H-pyrazole-5-carbonyl)-4-[4-(propan-2-YL)benzenesulfonyl]piperazine
CID 20864932
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]benzohydrazide
CID 24982931
1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide
CID 155542117
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(pyridazin-4-ylmethyl)benzamide
CID 168295347

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide?
The IUPAC name of N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide (CID 70783979) is N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide?
The canonical SMILES for N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide is CN(Cc1ccn[nH]1)C(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide?
The InChIKey is KFZCPDPGAQFSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-20(12-14-6-7-18-19-14)16(22)13-2-4-15(5-3-13)25(23,24)21-10-8-17-9-11-21/h2-7,17H,8-12H2,1H3,(H,18,19).
What are the key properties of N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide?
N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide has a molecular weight of 363.44 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 70783979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).