N-(3-amino-2-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide

C17H20ClFN2O3S — CID 155434847

IUPACN-(3-amino-2-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(Cc1ccccc1OC)c1ccc(F)c(N)c1Cl
InChIInChI=1S/C17H20ClFN2O3S/c1-3-10-25(22,23)21(11-12-6-4-5-7-15(12)24-2)14-9-8-13(19)17(20)16(14)18/h4-9H,3,10-11,20H2,1-2H3
InChIKeyYZGIWRMXRPNSTP-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.82
Rot. Bonds7

About N-(3-amino-2-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide

N-(3-amino-2-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide (PubChem CID 155434847) has the molecular formula C17H20ClFN2O3S and a molecular weight of 386.88 g/mol. Its IUPAC name is N-(3-amino-2-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide
PubChem CID155434847
Molecular FormulaC17H20ClFN2O3S
Molecular Weight386.88 g/mol
Exact Mass386.09
IUPAC NameN-(3-amino-2-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(Cc1ccccc1OC)c1ccc(F)c(N)c1Cl
InChIInChI=1S/C17H20ClFN2O3S/c1-3-10-25(22,23)21(11-12-6-4-5-7-15(12)24-2)14-9-8-13(19)17(20)16(14)18/h4-9H,3,10-11,20H2,1-2H3
InChIKeyYZGIWRMXRPNSTP-UHFFFAOYSA-N
XLogP3.82
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2-chloro-4-fluorophenyl)-N-[methoxy(phenyl)methyl]propane-1-sulfonamide
CID 155434848
N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide
CID 47071877
N-[[2-(difluoromethoxy)phenyl]methyl]-N-methylpropane-1-sulfonamide
CID 71996836
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151204
5-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarbothioamide
CID 62493688
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 42841700
4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46152500
1-[(3R)-2,2-dimethylhexan-3-yl]-1-[(2-methoxyphenyl)methyl]hydrazine
CID 175558533
N-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 46022543
ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate
CID 50895054
ethane;1-ethyl-2-fluorobenzene;2-methoxyaniline
CID 144760759
N-[3-[2-[(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)methyl]phenoxy]propyl]-2-methoxy-N-methylbenzamide
CID 22276252

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide?
The IUPAC name of N-(3-amino-2-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide (CID 155434847) is N-(3-amino-2-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-(3-amino-2-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-(3-amino-2-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)N(Cc1ccccc1OC)c1ccc(F)c(N)c1Cl.
What is the InChIKey of N-(3-amino-2-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide?
The InChIKey is YZGIWRMXRPNSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2O3S/c1-3-10-25(22,23)21(11-12-6-4-5-7-15(12)24-2)14-9-8-13(19)17(20)16(14)18/h4-9H,3,10-11,20H2,1-2H3.
What are the key properties of N-(3-amino-2-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide?
N-(3-amino-2-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide has a molecular weight of 386.88 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-chloro-4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 155434847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).