2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxy-5-(1,3-thiazol-2-ylsulfamoyl)benzamide

C20H16ClN5O4S2 — CID 71717554

IUPAC2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxy-5-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESNC(=O)c1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cnn(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H16ClN5O4S2/c21-14-3-1-13(2-4-14)11-26-12-15(10-24-26)30-18-6-5-16(9-17(18)19(22)27)32(28,29)25-20-23-7-8-31-20/h1-10,12H,11H2,(H2,22,27)(H,23,25)
InChIKeyCWGOLCJYHRSYOJ-UHFFFAOYSA-N
MW489.97 g/mol
LogP3.73
Rot. Bonds8

About 2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxy-5-(1,3-thiazol-2-ylsulfamoyl)benzamide

2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxy-5-(1,3-thiazol-2-ylsulfamoyl)benzamide (PubChem CID 71717554) has the molecular formula C20H16ClN5O4S2 and a molecular weight of 489.97 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxy-5-(1,3-thiazol-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxy-5-(1,3-thiazol-2-ylsulfamoyl)benzamide
PubChem CID71717554
Molecular FormulaC20H16ClN5O4S2
Molecular Weight489.97 g/mol
Exact Mass489.03
IUPAC Name2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxy-5-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESNC(=O)c1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cnn(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H16ClN5O4S2/c21-14-3-1-13(2-4-14)11-26-12-15(10-24-26)30-18-6-5-16(9-17(18)19(22)27)32(28,29)25-20-23-7-8-31-20/h1-10,12H,11H2,(H2,22,27)(H,23,25)
InChIKeyCWGOLCJYHRSYOJ-UHFFFAOYSA-N
XLogP3.73
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.97
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58190038
4-[1-tert-butyl-3-[(4-chlorophenyl)methyl]pyrazol-5-yl]oxy-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71717557
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
2-(4-chloropyrazol-1-yl)-5-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]benzoic acid
CID 71718193
3-cyano-4-[2-fluoro-4-(pyrazol-1-ylmethyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71718748
2-[(4-chlorophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 19507330
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19570318
N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488149
2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487462
2-propoxy-5-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 171134294
3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28509857

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxy-5-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxy-5-(1,3-thiazol-2-ylsulfamoyl)benzamide (CID 71717554) is 2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxy-5-(1,3-thiazol-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxy-5-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxy-5-(1,3-thiazol-2-ylsulfamoyl)benzamide is NC(=O)c1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cnn(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxy-5-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The InChIKey is CWGOLCJYHRSYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O4S2/c21-14-3-1-13(2-4-14)11-26-12-15(10-24-26)30-18-6-5-16(9-17(18)19(22)27)32(28,29)25-20-23-7-8-31-20/h1-10,12H,11H2,(H2,22,27)(H,23,25).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxy-5-(1,3-thiazol-2-ylsulfamoyl)benzamide?
2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxy-5-(1,3-thiazol-2-ylsulfamoyl)benzamide has a molecular weight of 489.97 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxy-5-(1,3-thiazol-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 71717554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).