N-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide

C17H16ClFN2O3S — CID 38892389

IUPACN-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1
InChIInChI=1S/C17H16ClFN2O3S/c1-10-2-5-12(18)8-16(10)25(23,24)21-13-6-7-14(19)15(9-13)20-17(22)11-3-4-11/h2,5-9,11,21H,3-4H2,1H3,(H,20,22)
InChIKeyYJTBXXLATYOSPE-UHFFFAOYSA-N
MW382.84 g/mol
LogP3.94
Rot. Bonds5

About N-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide

N-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide (PubChem CID 38892389) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is N-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide
PubChem CID38892389
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC NameN-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1
InChIInChI=1S/C17H16ClFN2O3S/c1-10-2-5-12(18)8-16(10)25(23,24)21-13-6-7-14(19)15(9-13)20-17(22)11-3-4-11/h2,5-9,11,21H,3-4H2,1H3,(H,20,22)
InChIKeyYJTBXXLATYOSPE-UHFFFAOYSA-N
XLogP3.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 9243824
N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656726
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide
CID 39899026
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide
CID 119675111
N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 30805403
1,3-bis[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]urea
CID 90145577
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide
CID 4199762
N-[3-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylphenyl]acetamide
CID 47062928
N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 32677158
N-[2-fluoro-5-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide
CID 87026681
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide (CID 38892389) is N-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide is Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1.
What is the InChIKey of N-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide?
The InChIKey is YJTBXXLATYOSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c1-10-2-5-12(18)8-16(10)25(23,24)21-13-6-7-14(19)15(9-13)20-17(22)11-3-4-11/h2,5-9,11,21H,3-4H2,1H3,(H,20,22).
What are the key properties of N-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide?
N-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide has a molecular weight of 382.84 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide is sourced from PubChem (CID 38892389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).