N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide

C14H16Cl2N4O3S — CID 110335734

IUPACN-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2N4O3S/c1-8-14(9(2)19-18-8)24(22,23)20(3)7-13(21)17-12-6-10(15)4-5-11(12)16/h4-6H,7H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyVBTFGABLPHTECI-UHFFFAOYSA-N
MW391.28 g/mol
LogP2.59
Rot. Bonds5

About N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide

N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide (PubChem CID 110335734) has the molecular formula C14H16Cl2N4O3S and a molecular weight of 391.28 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
PubChem CID110335734
Molecular FormulaC14H16Cl2N4O3S
Molecular Weight391.28 g/mol
Exact Mass390.03
IUPAC NameN-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2N4O3S/c1-8-14(9(2)19-18-8)24(22,23)20(3)7-13(21)17-12-6-10(15)4-5-11(12)16/h4-6H,7H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyVBTFGABLPHTECI-UHFFFAOYSA-N
XLogP2.59
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335735
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 110335743
N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335718
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 110335689
N-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43401755
N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30268370
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110335714
methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 110335720
N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335603
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide
CID 16583536
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 1330087
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45373346

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide (CID 110335734) is N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide?
The InChIKey is VBTFGABLPHTECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O3S/c1-8-14(9(2)19-18-8)24(22,23)20(3)7-13(21)17-12-6-10(15)4-5-11(12)16/h4-6H,7H2,1-3H3,(H,17,21)(H,18,19).
What are the key properties of N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide?
N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide has a molecular weight of 391.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 110335734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).