N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C20H16ClFN4O3S2 — CID 38872398

IUPACN-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)Nc3cc(Cl)ccc3NS(=O)(=O)c3ccccc3F)cc12
InChIInChI=1S/C20H16ClFN4O3S2/c1-11-13-10-17(30-20(13)26(2)24-11)19(27)23-16-9-12(21)7-8-15(16)25-31(28,29)18-6-4-3-5-14(18)22/h3-10,25H,1-2H3,(H,23,27)
InChIKeyZPWZCCPKGDMSMP-UHFFFAOYSA-N
MW478.96 g/mol
LogP4.79
Rot. Bonds5

About N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 38872398) has the molecular formula C20H16ClFN4O3S2 and a molecular weight of 478.96 g/mol. Its IUPAC name is N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID38872398
Molecular FormulaC20H16ClFN4O3S2
Molecular Weight478.96 g/mol
Exact Mass478.03
IUPAC NameN-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)Nc3cc(Cl)ccc3NS(=O)(=O)c3ccccc3F)cc12
InChIInChI=1S/C20H16ClFN4O3S2/c1-11-13-10-17(30-20(13)26(2)24-11)19(27)23-16-9-12(21)7-8-15(16)25-31(28,29)18-6-4-3-5-14(18)22/h3-10,25H,1-2H3,(H,23,27)
InChIKeyZPWZCCPKGDMSMP-UHFFFAOYSA-N
XLogP4.79
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

N-(4-bromo-2-fluorophenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 26014198
N-(2-ethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304599
N-(2-chloro-4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60597423
1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 2382255
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 26069836
N-[2-(ethylaminomethyl)phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119439894
N-(4-chloro-2-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 7961231
N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide
CID 55679771
methyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate
CID 36934828
N-[(2,4-dichlorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 26018814
1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51304612
1-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 26584624

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 38872398) is N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)Nc3cc(Cl)ccc3NS(=O)(=O)c3ccccc3F)cc12.
What is the InChIKey of N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is ZPWZCCPKGDMSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O3S2/c1-11-13-10-17(30-20(13)26(2)24-11)19(27)23-16-9-12(21)7-8-15(16)25-31(28,29)18-6-4-3-5-14(18)22/h3-10,25H,1-2H3,(H,23,27).
What are the key properties of N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 478.96 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 38872398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).