N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide

C16H16ClF2NO3S — CID 90600032

IUPACN-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1c(F)cccc1F)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClF2NO3S/c1-16(23-2,11-5-3-6-12(17)9-11)10-20-24(21,22)15-13(18)7-4-8-14(15)19/h3-9,20H,10H2,1-2H3
InChIKeyBEKLALJVBDAQJE-UHFFFAOYSA-N
MW375.82 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide

N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide (PubChem CID 90600032) has the molecular formula C16H16ClF2NO3S and a molecular weight of 375.82 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide
PubChem CID90600032
Molecular FormulaC16H16ClF2NO3S
Molecular Weight375.82 g/mol
Exact Mass375.05
IUPAC NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1c(F)cccc1F)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClF2NO3S/c1-16(23-2,11-5-3-6-12(17)9-11)10-20-24(21,22)15-13(18)7-4-8-14(15)19/h3-9,20H,10H2,1-2H3
InChIKeyBEKLALJVBDAQJE-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide
CID 90600039
1-bromo-N-[2-(3-chlorophenyl)-2-methoxypropyl]methanesulfonamide
CID 90600008
N-(2-amino-2-methylpropyl)-2,6-difluorobenzenesulfonamide;hydrochloride
CID 119987957
N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90600092
2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501122
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 90600204
N'-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600132
5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-sulfonamide
CID 97428450
2,4-dichloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-5-methylbenzenesulfonamide
CID 90599295
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
CID 90600185
3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599225
N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600108

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide (CID 90600032) is N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide is COC(C)(CNS(=O)(=O)c1c(F)cccc1F)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is BEKLALJVBDAQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO3S/c1-16(23-2,11-5-3-6-12(17)9-11)10-20-24(21,22)15-13(18)7-4-8-14(15)19/h3-9,20H,10H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide?
N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 375.82 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 90600032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).