N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide

C14H21ClFN3O3S — CID 119983105

IUPACN-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(S(=O)(=O)NC(CN)CC(C)C)cc1Cl
InChIInChI=1S/C14H21ClFN3O3S/c1-8(2)4-10(7-17)19-23(21,22)14-5-11(15)13(6-12(14)16)18-9(3)20/h5-6,8,10,19H,4,7,17H2,1-3H3,(H,18,20)
InChIKeyADOOXBAAFVPBFT-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.09
Rot. Bonds7

About N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide

N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide (PubChem CID 119983105) has the molecular formula C14H21ClFN3O3S and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide
PubChem CID119983105
Molecular FormulaC14H21ClFN3O3S
Molecular Weight365.86 g/mol
Exact Mass365.10
IUPAC NameN-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(S(=O)(=O)NC(CN)CC(C)C)cc1Cl
InChIInChI=1S/C14H21ClFN3O3S/c1-8(2)4-10(7-17)19-23(21,22)14-5-11(15)13(6-12(14)16)18-9(3)20/h5-6,8,10,19H,4,7,17H2,1-3H3,(H,18,20)
InChIKeyADOOXBAAFVPBFT-UHFFFAOYSA-N
XLogP2.09
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide with MolForge

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Related Compounds

N-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride
CID 119960027
N-(1-amino-4-methylpentan-2-yl)-2,4-dichlorobenzenesulfonamide;hydrochloride
CID 120710662
N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089008
N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119983149
N-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 119983283
methyl 4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-3-chlorobenzoate
CID 119983276
N-(1-amino-4-methylpentan-2-yl)-2-fluorobenzenesulfonamide;hydrochloride
CID 119983189
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
CID 119983371
N-(1-amino-4-methylpentan-2-yl)-3,4,5-trifluorobenzenesulfonamide
CID 119983411
N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 124682011
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119983132

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide?
The IUPAC name of N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide (CID 119983105) is N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide is CC(=O)Nc1cc(F)c(S(=O)(=O)NC(CN)CC(C)C)cc1Cl.
What is the InChIKey of N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide?
The InChIKey is ADOOXBAAFVPBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN3O3S/c1-8(2)4-10(7-17)19-23(21,22)14-5-11(15)13(6-12(14)16)18-9(3)20/h5-6,8,10,19H,4,7,17H2,1-3H3,(H,18,20).
What are the key properties of N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide?
N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide has a molecular weight of 365.86 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide is sourced from PubChem (CID 119983105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).