N-(4-morpholin-4-ylsulfonylphenyl)-2-(3-nitropyrazol-1-yl)acetamide

C15H17N5O6S — CID 19521582

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H17N5O6S/c21-15(11-18-6-5-14(17-18)20(22)23)16-12-1-3-13(4-2-12)27(24,25)19-7-9-26-10-8-19/h1-6H,7-11H2,(H,16,21)
InChIKeyKHGPWKMXWSOFDG-UHFFFAOYSA-N
MW395.40 g/mol
LogP0.45
Rot. Bonds6

About N-(4-morpholin-4-ylsulfonylphenyl)-2-(3-nitropyrazol-1-yl)acetamide

N-(4-morpholin-4-ylsulfonylphenyl)-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 19521582) has the molecular formula C15H17N5O6S and a molecular weight of 395.40 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID19521582
Molecular FormulaC15H17N5O6S
Molecular Weight395.40 g/mol
Exact Mass395.09
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H17N5O6S/c21-15(11-18-6-5-14(17-18)20(22)23)16-12-1-3-13(4-2-12)27(24,25)19-7-9-26-10-8-19/h1-6H,7-11H2,(H,16,21)
InChIKeyKHGPWKMXWSOFDG-UHFFFAOYSA-N
XLogP0.45
TPSA136.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19515729
N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 557433
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4765482
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 108806474
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19557798
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26931166
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19525215
2-(4-methylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1152713
4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 4282639

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-(3-nitropyrazol-1-yl)acetamide (CID 19521582) is N-(4-morpholin-4-ylsulfonylphenyl)-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-2-(3-nitropyrazol-1-yl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is KHGPWKMXWSOFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O6S/c21-15(11-18-6-5-14(17-18)20(22)23)16-12-1-3-13(4-2-12)27(24,25)19-7-9-26-10-8-19/h1-6H,7-11H2,(H,16,21).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-2-(3-nitropyrazol-1-yl)acetamide?
N-(4-morpholin-4-ylsulfonylphenyl)-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 395.40 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19521582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).