2-[4-(4-aminopyrazol-1-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-chlorophenyl)acetamide

C26H26ClN5O5S — CID 175263434

IUPAC2-[4-(4-aminopyrazol-1-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-chlorophenyl)acetamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(C(C(N)=O)c3ccccc3Cl)ccc2-n2cc(N)cn2)c(OC)c1
InChIInChI=1S/C26H26ClN5O5S/c1-36-19-9-7-17(23(12-19)37-2)13-31-38(34,35)24-11-16(8-10-22(24)32-15-18(28)14-30-32)25(26(29)33)20-5-3-4-6-21(20)27/h3-12,14-15,25,31H,13,28H2,1-2H3,(H2,29,33)
InChIKeyUDEIXGNDZBIXOR-UHFFFAOYSA-N
MW556.04 g/mol
LogP3.22
Rot. Bonds10

About 2-[4-(4-aminopyrazol-1-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-chlorophenyl)acetamide

2-[4-(4-aminopyrazol-1-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-chlorophenyl)acetamide (PubChem CID 175263434) has the molecular formula C26H26ClN5O5S and a molecular weight of 556.04 g/mol. Its IUPAC name is 2-[4-(4-aminopyrazol-1-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-aminopyrazol-1-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-chlorophenyl)acetamide
PubChem CID175263434
Molecular FormulaC26H26ClN5O5S
Molecular Weight556.04 g/mol
Exact Mass555.13
IUPAC Name2-[4-(4-aminopyrazol-1-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-chlorophenyl)acetamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(C(C(N)=O)c3ccccc3Cl)ccc2-n2cc(N)cn2)c(OC)c1
InChIInChI=1S/C26H26ClN5O5S/c1-36-19-9-7-17(23(12-19)37-2)13-31-38(34,35)24-11-16(8-10-22(24)32-15-18(28)14-30-32)25(26(29)33)20-5-3-4-6-21(20)27/h3-12,14-15,25,31H,13,28H2,1-2H3,(H2,29,33)
InChIKeyUDEIXGNDZBIXOR-UHFFFAOYSA-N
XLogP3.22
TPSA151.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.04
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-methylpyrazol-1-yl)benzenesulfonamide
CID 138559540
[3-[1-[4-amino-2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]pyrazol-4-yl]-2,2-difluoro-4,4-dimethylpentyl] carbamate
CID 175302047
5-amino-2-(4-cyanopyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 138559404
2-[4-(2,2-difluoroethylamino)pyrazol-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 149117854
2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 165379987
N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylbenzenesulfonamide
CID 175751815
N-[4-[4-(3,3-difluoropropyl)pyrazol-1-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 158743261
5-amino-2-(4-fluoropyrazol-1-yl)-N-[(4-hydroxy-2-methoxyphenyl)methyl]benzenesulfonamide
CID 163541729
3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-fluoropyrazol-1-yl)benzenesulfonamide
CID 175751617
5-amino-2-(3-cyclopropylpyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 138559512
[2-[4-[[2-(2-chlorophenyl)acetyl]amino]-2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-1,3-dihydropyrazol-4-yl] carbamate
CID 175823644
2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide
CID 5157003

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminopyrazol-1-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-(4-aminopyrazol-1-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-chlorophenyl)acetamide (CID 175263434) is 2-[4-(4-aminopyrazol-1-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-aminopyrazol-1-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-aminopyrazol-1-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-chlorophenyl)acetamide is COc1ccc(CNS(=O)(=O)c2cc(C(C(N)=O)c3ccccc3Cl)ccc2-n2cc(N)cn2)c(OC)c1.
What is the InChIKey of 2-[4-(4-aminopyrazol-1-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-chlorophenyl)acetamide?
The InChIKey is UDEIXGNDZBIXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O5S/c1-36-19-9-7-17(23(12-19)37-2)13-31-38(34,35)24-11-16(8-10-22(24)32-15-18(28)14-30-32)25(26(29)33)20-5-3-4-6-21(20)27/h3-12,14-15,25,31H,13,28H2,1-2H3,(H2,29,33).
What are the key properties of 2-[4-(4-aminopyrazol-1-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-chlorophenyl)acetamide?
2-[4-(4-aminopyrazol-1-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-chlorophenyl)acetamide has a molecular weight of 556.04 g/mol, XLogP of 3.22, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminopyrazol-1-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 175263434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).