4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide

C13H10ClF2NO2S — CID 110780979

IUPAC4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(F)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClF2NO2S/c14-10-1-4-12(5-2-10)20(18,19)17-8-9-7-11(15)3-6-13(9)16/h1-7,17H,8H2
InChIKeyCLXAJNDCSDQDHS-UHFFFAOYSA-N
MW317.74 g/mol
LogP3.10
Rot. Bonds4

About 4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide

4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide (PubChem CID 110780979) has the molecular formula C13H10ClF2NO2S and a molecular weight of 317.74 g/mol. Its IUPAC name is 4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
PubChem CID110780979
Molecular FormulaC13H10ClF2NO2S
Molecular Weight317.74 g/mol
Exact Mass317.01
IUPAC Name4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(F)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClF2NO2S/c14-10-1-4-12(5-2-10)20(18,19)17-8-9-7-11(15)3-6-13(9)16/h1-7,17H,8H2
InChIKeyCLXAJNDCSDQDHS-UHFFFAOYSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 25047062
3-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110781006
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780997
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3338012
N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 110780300
N-[(2,5-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 63373518
N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 3835603
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
5-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-1H-pyrrole-3-sulfonamide
CID 106065156
N-[(5-fluoro-2-methylphenyl)methyl]-4-iodobenzenesulfonamide
CID 3682608
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780996

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide (CID 110780979) is 4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1cc(F)ccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide?
The InChIKey is CLXAJNDCSDQDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO2S/c14-10-1-4-12(5-2-10)20(18,19)17-8-9-7-11(15)3-6-13(9)16/h1-7,17H,8H2.
What are the key properties of 4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide?
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide has a molecular weight of 317.74 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 110780979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).