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

C16H22ClN5O3S — CID 154897636

IUPACN-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide;hydrochloride
SMILESCN(Cc1ccn[nH]1)C(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H21N5O3S.ClH/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);1H
InChIKeyJPNHNPHDYDRNJK-UHFFFAOYSA-N
MW399.90 g/mol
LogP0.70
Rot. Bonds5

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

N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide;hydrochloride (PubChem CID 154897636) has the molecular formula C16H22ClN5O3S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide;hydrochloride
PubChem CID154897636
Molecular FormulaC16H22ClN5O3S
Molecular Weight399.90 g/mol
Exact Mass399.11
IUPAC NameN-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide;hydrochloride
SMILESCN(Cc1ccn[nH]1)C(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H21N5O3S.ClH/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);1H
InChIKeyJPNHNPHDYDRNJK-UHFFFAOYSA-N
XLogP0.70
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 97141358
3-[methyl(1H-pyrazol-5-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982759
1-(4-piperazin-1-ylsulfonylphenyl)ethanone
CID 2125328
4-piperazin-1-ylsulfonylbenzamide
CID 7131265
2-methyl-1-(4-piperazin-1-ylsulfonylphenyl)propan-1-one
CID 82164843
N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 8502036
1-[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-N,N-dimethylmethanamine;hydrochloride
CID 120999364
2-[[4-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]-methylamino]acetic acid
CID 119172373
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9227950
cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone
CID 82165047
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-piperidin-1-ylsulfonylbenzamide
CID 17477585
4-(azepan-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 31645452

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide;hydrochloride (CID 154897636) is N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide;hydrochloride is CN(Cc1ccn[nH]1)C(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1.Cl.
What is the InChIKey of N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide;hydrochloride?
The InChIKey is JPNHNPHDYDRNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S.ClH/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);1H.
What are the key properties of N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide;hydrochloride?
N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide;hydrochloride has a molecular weight of 399.90 g/mol, XLogP of 0.70, 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;hydrochloride is sourced from PubChem (CID 154897636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).