N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide

C16H16ClFN2O3S — CID 17192157

IUPACN-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16ClFN2O3S/c1-11-14(17)3-2-4-15(11)20-16(21)9-10-19-24(22,23)13-7-5-12(18)6-8-13/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyVRKTWBYTVLHNOC-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.09
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide

N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide (PubChem CID 17192157) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
PubChem CID17192157
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC NameN-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16ClFN2O3S/c1-11-14(17)3-2-4-15(11)20-16(21)9-10-19-24(22,23)13-7-5-12(18)6-8-13/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyVRKTWBYTVLHNOC-UHFFFAOYSA-N
XLogP3.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192162
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24547916
N-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
CID 26589741
N-(3-chloro-2-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383212
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide
CID 17192422
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 39945799
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192926

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide (CID 17192157) is N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide is Cc1c(Cl)cccc1NC(=O)CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is VRKTWBYTVLHNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-11-14(17)3-2-4-15(11)20-16(21)9-10-19-24(22,23)13-7-5-12(18)6-8-13/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 370.83 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17192157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).