2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide

C19H17Cl3N4O4S — CID 164596484

IUPAC2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide
SMILESCn1nc(OCc2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)c(Cl)c1Cl
InChIInChI=1S/C19H17Cl3N4O4S/c1-26-18(22)17(21)19(25-26)30-10-12-6-7-13(9-15(12)31(23,28)29)24-16(27)8-11-4-2-3-5-14(11)20/h2-7,9H,8,10H2,1H3,(H,24,27)(H2,23,28,29)
InChIKeyADXMEAJWMSFLPW-UHFFFAOYSA-N
MW503.80 g/mol
LogP3.79
Rot. Bonds7

About 2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide

2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide (PubChem CID 164596484) has the molecular formula C19H17Cl3N4O4S and a molecular weight of 503.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide
PubChem CID164596484
Molecular FormulaC19H17Cl3N4O4S
Molecular Weight503.80 g/mol
Exact Mass502.00
IUPAC Name2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide
SMILESCn1nc(OCc2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)c(Cl)c1Cl
InChIInChI=1S/C19H17Cl3N4O4S/c1-26-18(22)17(21)19(25-26)30-10-12-6-7-13(9-15(12)31(23,28)29)24-16(27)8-11-4-2-3-5-14(11)20/h2-7,9H,8,10H2,1H3,(H,24,27)(H2,23,28,29)
InChIKeyADXMEAJWMSFLPW-UHFFFAOYSA-N
XLogP3.79
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.80
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide
CID 164596482
2-(2-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]-3-sulfamoylphenyl]acetamide
CID 145203258
N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 164596506
2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide
CID 164596527
2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572293
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
CID 134604003
2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide
CID 164596523
N-[3-aminosulfanyl-4-[(3-methylimidazol-4-yl)oxymethyl]phenyl]-2-(2-chlorophenyl)acetamide
CID 167200508
2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide
CID 142472468
2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 163830202
2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572300

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide (CID 164596484) is 2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide is Cn1nc(OCc2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)c(Cl)c1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide?
The InChIKey is ADXMEAJWMSFLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3N4O4S/c1-26-18(22)17(21)19(25-26)30-10-12-6-7-13(9-15(12)31(23,28)29)24-16(27)8-11-4-2-3-5-14(11)20/h2-7,9H,8,10H2,1H3,(H,24,27)(H2,23,28,29).
What are the key properties of 2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide?
2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide has a molecular weight of 503.80 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide is sourced from PubChem (CID 164596484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).