N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide

C17H18ClFN2O3S — CID 110420926

IUPACN-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
SMILESCc1cc(Cl)ccc1NC(=O)C(C)CS(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-11-8-13(18)6-7-16(11)20-17(22)12(2)10-25(23,24)21-15-5-3-4-14(19)9-15/h3-9,12,21H,10H2,1-2H3,(H,20,22)
InChIKeyRRSJUTLACXSXLB-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.80
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide

N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide (PubChem CID 110420926) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
PubChem CID110420926
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC NameN-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
SMILESCc1cc(Cl)ccc1NC(=O)C(C)CS(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-11-8-13(18)6-7-16(11)20-17(22)12(2)10-25(23,24)21-15-5-3-4-14(19)9-15/h3-9,12,21H,10H2,1-2H3,(H,20,22)
InChIKeyRRSJUTLACXSXLB-UHFFFAOYSA-N
XLogP3.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
CID 110426408
3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110631787
3-[(3-fluorophenyl)sulfamoyl]-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 110626814
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132
3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide
CID 110610179
N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
CID 103605147
N-(2,6-difluorophenyl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110428867
3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide
CID 110612014
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide
CID 110417500
N'-(5-chloro-2-methylphenyl)-N-(3-fluorophenyl)oxamide
CID 108511843
1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide (CID 110420926) is N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide is Cc1cc(Cl)ccc1NC(=O)C(C)CS(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide?
The InChIKey is RRSJUTLACXSXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-11-8-13(18)6-7-16(11)20-17(22)12(2)10-25(23,24)21-15-5-3-4-14(19)9-15/h3-9,12,21H,10H2,1-2H3,(H,20,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide?
N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide has a molecular weight of 384.86 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide is sourced from PubChem (CID 110420926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).