methyl 2-[carbamoyl-[4-(1H-pyrazol-5-yl)phenyl]sulfonylamino]-4-chlorobenzoate

C18H15ClN4O5S — CID 18971398

IUPACmethyl 2-[carbamoyl-[4-(1H-pyrazol-5-yl)phenyl]sulfonylamino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)cc1N(C(N)=O)S(=O)(=O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H15ClN4O5S/c1-28-17(24)14-7-4-12(19)10-16(14)23(18(20)25)29(26,27)13-5-2-11(3-6-13)15-8-9-21-22-15/h2-10H,1H3,(H2,20,25)(H,21,22)
InChIKeyURDCFSJBNMIDHS-UHFFFAOYSA-N
MW434.86 g/mol
LogP2.79
Rot. Bonds5

About methyl 2-[carbamoyl-[4-(1H-pyrazol-5-yl)phenyl]sulfonylamino]-4-chlorobenzoate

methyl 2-[carbamoyl-[4-(1H-pyrazol-5-yl)phenyl]sulfonylamino]-4-chlorobenzoate (PubChem CID 18971398) has the molecular formula C18H15ClN4O5S and a molecular weight of 434.86 g/mol. Its IUPAC name is methyl 2-[carbamoyl-[4-(1H-pyrazol-5-yl)phenyl]sulfonylamino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-[carbamoyl-[4-(1H-pyrazol-5-yl)phenyl]sulfonylamino]-4-chlorobenzoate
PubChem CID18971398
Molecular FormulaC18H15ClN4O5S
Molecular Weight434.86 g/mol
Exact Mass434.05
IUPAC Namemethyl 2-[carbamoyl-[4-(1H-pyrazol-5-yl)phenyl]sulfonylamino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)cc1N(C(N)=O)S(=O)(=O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H15ClN4O5S/c1-28-17(24)14-7-4-12(19)10-16(14)23(18(20)25)29(26,27)13-5-2-11(3-6-13)15-8-9-21-22-15/h2-10H,1H3,(H2,20,25)(H,21,22)
InChIKeyURDCFSJBNMIDHS-UHFFFAOYSA-N
XLogP2.79
TPSA135.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.86
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[carbamoyl-[4-(1H-pyrazol-5-yl)phenyl]sulfonylamino]-4-chlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-fluoro-4-(1H-pyrazol-5-yl)benzoate
CID 165486349
2-[(4-chlorophenyl)sulfonyl-[[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]-2-(3,5-difluorophenyl)acetamide
CID 140563090
methyl 4-chloro-2-(1H-pyrazol-5-ylmethylamino)benzoate
CID 43680666
methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate
CID 102691734
methyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate
CID 139838408
4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 110732433
methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 23109792
2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-5-sulfamoylbenzamide
CID 55840948
methyl 4-chloro-2-(sulfamoylamino)benzoate
CID 112573367
3,5-dichloro-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 72547025
5-chloro-2-methoxycarbonylbenzenediazonium;hydrogen sulfate
CID 11119972
N-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide
CID 155956840

Frequently Asked Questions

What is the IUPAC name of methyl 2-[carbamoyl-[4-(1H-pyrazol-5-yl)phenyl]sulfonylamino]-4-chlorobenzoate?
The IUPAC name of methyl 2-[carbamoyl-[4-(1H-pyrazol-5-yl)phenyl]sulfonylamino]-4-chlorobenzoate (CID 18971398) is methyl 2-[carbamoyl-[4-(1H-pyrazol-5-yl)phenyl]sulfonylamino]-4-chlorobenzoate.
What is the SMILES notation for methyl 2-[carbamoyl-[4-(1H-pyrazol-5-yl)phenyl]sulfonylamino]-4-chlorobenzoate?
The canonical SMILES for methyl 2-[carbamoyl-[4-(1H-pyrazol-5-yl)phenyl]sulfonylamino]-4-chlorobenzoate is COC(=O)c1ccc(Cl)cc1N(C(N)=O)S(=O)(=O)c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of methyl 2-[carbamoyl-[4-(1H-pyrazol-5-yl)phenyl]sulfonylamino]-4-chlorobenzoate?
The InChIKey is URDCFSJBNMIDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O5S/c1-28-17(24)14-7-4-12(19)10-16(14)23(18(20)25)29(26,27)13-5-2-11(3-6-13)15-8-9-21-22-15/h2-10H,1H3,(H2,20,25)(H,21,22).
What are the key properties of methyl 2-[carbamoyl-[4-(1H-pyrazol-5-yl)phenyl]sulfonylamino]-4-chlorobenzoate?
methyl 2-[carbamoyl-[4-(1H-pyrazol-5-yl)phenyl]sulfonylamino]-4-chlorobenzoate has a molecular weight of 434.86 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[carbamoyl-[4-(1H-pyrazol-5-yl)phenyl]sulfonylamino]-4-chlorobenzoate is sourced from PubChem (CID 18971398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).