N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide

C17H23ClN4O3S — CID 99788498

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2cnn(CC)c2)ccc1Cl
InChIInChI=1S/C17H23ClN4O3S/c1-4-21-12-13(11-19-21)9-17(23)20-14-7-8-15(18)16(10-14)26(24,25)22(5-2)6-3/h7-8,10-12H,4-6,9H2,1-3H3,(H,20,23)
InChIKeyRHIADWIFGSWSBK-UHFFFAOYSA-N
MW398.92 g/mol
LogP2.77
Rot. Bonds8

About N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide (PubChem CID 99788498) has the molecular formula C17H23ClN4O3S and a molecular weight of 398.92 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide
PubChem CID99788498
Molecular FormulaC17H23ClN4O3S
Molecular Weight398.92 g/mol
Exact Mass398.12
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2cnn(CC)c2)ccc1Cl
InChIInChI=1S/C17H23ClN4O3S/c1-4-21-12-13(11-19-21)9-17(23)20-14-7-8-15(18)16(10-14)26(24,25)22(5-2)6-3/h7-8,10-12H,4-6,9H2,1-3H3,(H,20,23)
InChIKeyRHIADWIFGSWSBK-UHFFFAOYSA-N
XLogP2.77
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 51618352
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 119679886
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119679885
2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 78780498
4-[4-chloro-3-(diethylsulfamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133535
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119679914
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 55875545
7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119679881
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9426542
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119679906

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide (CID 99788498) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2cnn(CC)c2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide?
The InChIKey is RHIADWIFGSWSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O3S/c1-4-21-12-13(11-19-21)9-17(23)20-14-7-8-15(18)16(10-14)26(24,25)22(5-2)6-3/h7-8,10-12H,4-6,9H2,1-3H3,(H,20,23).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide has a molecular weight of 398.92 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 99788498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).