N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide

C17H21N5O4S — CID 110328586

IUPACN-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCN(C(=O)c3cc(C)[nH]n3)CC2)cc1
InChIInChI=1S/C17H21N5O4S/c1-12-3-5-14(6-4-12)27(25,26)20-17(24)22-9-7-21(8-10-22)16(23)15-11-13(2)18-19-15/h3-6,11H,7-10H2,1-2H3,(H,18,19)(H,20,24)
InChIKeyVPLYXPJBSCVOQE-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.88
Rot. Bonds3

About N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide

N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide (PubChem CID 110328586) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide
PubChem CID110328586
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC NameN-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCN(C(=O)c3cc(C)[nH]n3)CC2)cc1
InChIInChI=1S/C17H21N5O4S/c1-12-3-5-14(6-4-12)27(25,26)20-17(24)22-9-7-21(8-10-22)16(23)15-11-13(2)18-19-15/h3-6,11H,7-10H2,1-2H3,(H,18,19)(H,20,24)
InChIKeyVPLYXPJBSCVOQE-UHFFFAOYSA-N
XLogP0.88
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110364713
(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20910824
4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110749471
N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 17149179
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110422964
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
N-(4-methylphenyl)sulfonyl-4-propanoyl-1,4-diazepane-1-carboxamide
CID 110811315
[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 110328575
(4-butylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328591
(5-methyl-1H-pyrazol-3-yl)-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110328631
(5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 20910896
4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110395597

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide (CID 110328586) is N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)N2CCN(C(=O)c3cc(C)[nH]n3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide?
The InChIKey is VPLYXPJBSCVOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S/c1-12-3-5-14(6-4-12)27(25,26)20-17(24)22-9-7-21(8-10-22)16(23)15-11-13(2)18-19-15/h3-6,11H,7-10H2,1-2H3,(H,18,19)(H,20,24).
What are the key properties of N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide?
N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 110328586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).