N-[(2-chlorophenyl)methyl]-2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide

C18H16ClFN2O3S — CID 38261687

IUPACN-[(2-chlorophenyl)methyl]-2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2F)on1
InChIInChI=1S/C18H16ClFN2O3S/c1-13-10-15(25-21-13)12-22(11-14-6-2-3-7-16(14)19)26(23,24)18-9-5-4-8-17(18)20/h2-10H,11-12H2,1H3
InChIKeyJVAJXKDZKHQMGH-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.17
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide

N-[(2-chlorophenyl)methyl]-2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 38261687) has the molecular formula C18H16ClFN2O3S and a molecular weight of 394.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
PubChem CID38261687
Molecular FormulaC18H16ClFN2O3S
Molecular Weight394.86 g/mol
Exact Mass394.06
IUPAC NameN-[(2-chlorophenyl)methyl]-2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2F)on1
InChIInChI=1S/C18H16ClFN2O3S/c1-13-10-15(25-21-13)12-22(11-14-6-2-3-7-16(14)19)26(23,24)18-9-5-4-8-17(18)20/h2-10H,11-12H2,1H3
InChIKeyJVAJXKDZKHQMGH-UHFFFAOYSA-N
XLogP4.17
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142329
5-[[(S)-(2-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole
CID 95332582
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 889054
5-[[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]methyl]-3-methyl-1,2-oxazole
CID 95332595
2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105926
N-[(2-chlorophenyl)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-fluorobenzenesulfonamide
CID 24607518
2-(2-chlorophenyl)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 56810432
2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537631
2-fluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084730
N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 115279924
N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide
CID 2695392

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide (CID 38261687) is N-[(2-chlorophenyl)methyl]-2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide is Cc1cc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2F)on1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is JVAJXKDZKHQMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O3S/c1-13-10-15(25-21-13)12-22(11-14-6-2-3-7-16(14)19)26(23,24)18-9-5-4-8-17(18)20/h2-10H,11-12H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
N-[(2-chlorophenyl)methyl]-2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 394.86 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 38261687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).