[4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide

C14H14ClFN2O2S — CID 110170598

IUPAC[4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NCc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H14ClFN2O2S/c15-12-4-3-11(14(16)7-12)8-18-13-5-1-10(2-6-13)9-21(17,19)20/h1-7,18H,8-9H2,(H2,17,19,20)
InChIKeyDKVOMHVJEBENHA-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.88
Rot. Bonds5

About [4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide

[4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide (PubChem CID 110170598) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is [4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide
PubChem CID110170598
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name[4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NCc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H14ClFN2O2S/c15-12-4-3-11(14(16)7-12)8-18-13-5-1-10(2-6-13)9-21(17,19)20/h1-7,18H,8-9H2,(H2,17,19,20)
InChIKeyDKVOMHVJEBENHA-UHFFFAOYSA-N
XLogP2.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 43745244
[4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
CID 107694380
[4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide
CID 62391957
[4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide
CID 63324512
[4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide
CID 43745169
N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 102609742
[4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
CID 107124007
(2-bromo-4-chlorophenyl)methanesulfonamide
CID 71683198
3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841284
[4-(ethylamino)phenyl]methanesulfonamide
CID 43745283
N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine
CID 114842454
1-[4-[(4-chlorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 110170601

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of [4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide (CID 110170598) is [4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for [4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(NCc2ccc(Cl)cc2F)cc1.
What is the InChIKey of [4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide?
The InChIKey is DKVOMHVJEBENHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c15-12-4-3-11(14(16)7-12)8-18-13-5-1-10(2-6-13)9-21(17,19)20/h1-7,18H,8-9H2,(H2,17,19,20).
What are the key properties of [4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide?
[4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 110170598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).